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2-羟基-6-甲基-4H-吡喃-4-酮 | 70254-61-4

2-羟基-6-甲基-4H-吡喃-4-酮
2-Hydroxy-6-methyl-4H-pyran-4-one
70254-61-4
C6H6O3
126.1100
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:2-羟基-6-甲基-4H-吡喃-4-酮结构式
54675757
名称和标识符
MDL MFCD18820248
InChIKey NSYSSMYQPLSPOD-UHFFFAOYSA-N
Inchi 1S/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H3
SMILES O1C(C([H])=C(C([H])=C1C([H])([H])[H])O[H])=O
BRN 0113815
别名信息
- 中文别名 -
  • 2-羟基-6-甲基-4H-吡喃-4-酮
- 英文别名 -
  • 2-Hydroxy-6-methyl-4H-pyran-4-one
  • 4H-Pyran-4-one, 2-hydroxy-6-methyl-
  • 4H-Pyran-4-one,2-hydroxy-6-methyl-(9CI)
  • 4-Hydroxy-6-methyl-2-pyrone
  • 4-Hydroxy-6-methyl-2H-pyran-2-one
  • 4-hydroxy-6-methylpyran-2-one
  • Triacetate lactone
  • Triacetic acid lactone
  • 2H-PYRAN-2-ONE, 4-HYDROXY-6-METHYL-
  • 6-Methyl-4-hydroxypyron-(2)
  • 6-methyl-4-hydroxy-2-pyrone
  • 4-Hydroxy-6-methylpyran-4-one
  • S1S883S4EE
  • NSYSSMYQPLSPOD-UHFFFAOYSA-N
  • 3,5-Dihydroxyso
  • 6-methyl-4-hydroxypyrone
  • 6-methyl-4-hydroxypyrone
  • 4-hydroxy- 6-methyl-2-pyrone
  • W-104713
  • 4-hydroxy- 6-methyl-2-pyrone
  • C02752
  • W-104713
  • CS-W020045
  • C02752
  • CS-W020045
  • 4-hydroxy-6-methyl-pyran-2-one
  • 4-hydroxy-6-methyl-pyran-2-one
  • SY001948
  • SY001948
  • InChI=1/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H
  • InChI=1/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H
  • Z104477314
  • SR-05000002374-1
  • Z104477314
  • UNII-S1S883S4EE
  • SR-05000002374-1
  • SCHEMBL320025
  • UNII-S1S883S4EE
  • BRD-K77202630-001-03-7
  • SCHEMBL320025
  • Q7839869
  • BRD-K77202630-001-03-7
  • 4-Hydroxy-6-methyl-2-pyrone, 98%
  • Q7839869
  • BDBM50405204
  • KBio3_002560
  • 4-Hydroxy-6-methyl-2-pyrone, 98%
  • O10801
  • BDBM50405204
  • CCRIS 3600
  • KBio3_002560
  • BSPBio_003340
  • O10801
  • PD000450
  • CCRIS 3600
  • HY-Y1634
  • BSPBio_003340
  • FT-0618665
  • PD000450
  • 3,5-Dihydroxysorbic acid d-lactone
  • HY-Y1634
  • 4-hydroxy-6-methylpyrone
  • FT-0618665
  • SPBio_002135
  • 3,5-Dihydroxysorbic acid d-lactone
  • NCGC00095976-01
  • 4-hydroxy-6-methylpyrone
  • EN300-20217
  • SPBio_002135
  • SpecPlus_000816
  • NCGC00095976-01
  • AC-27196
  • EN300-20217
  • Spectrum5_000594
  • SpecPlus_000816
  • AKOS000119605
  • AC-27196
  • NSC34625
  • Spectrum5_000594
  • SDCCGMLS-0066925.P001
  • AKOS000119605
  • CHEBI:16458
  • NSC34625
  • 4-hydoxy-6-methyl-2-pyrone
  • SDCCGMLS-0066925.P001
  • 4-HYDROXY-6-METHYL-.ALPHA.-PYRONE
  • CHEBI:16458
  • KBioSS_002438
  • 4-hydoxy-6-methyl-2-pyrone
  • 70254-61-4
  • 4-HYDROXY-6-METHYL-.ALPHA.-PYRONE
  • KBio2_002432
  • KBioSS_002438
  • CHEMBL54907
  • 70254-61-4
  • SY105730
  • KBio2_002432
  • SORBIC ACID, 3,5-DIHYDROXY-, .DELTA.-LACTONE
  • CHEMBL54907
  • NCGC00178130-01
  • SY105730
  • KJ6
  • SORBIC ACID, 3,5-DIHYDROXY-, .DELTA.-LACTONE
  • 4-hydroxy-6-methyl pyr-2-one
  • NCGC00178130-01
  • SPECTRUM1600759
  • KJ6
  • AKOS016007260
  • 4-hydroxy-6-methyl pyr-2-one
  • F14831
  • SPECTRUM1600759
  • EINECS 211-619-2
  • AKOS016007260
  • 7H-939
  • F14831
  • Spectrum_001904
  • EINECS 211-619-2
  • Spectrum4_001907
  • 7H-939
  • NSC-34625
  • Spectrum_001904
  • SR-05000002374
  • Spectrum4_001907
  • 675-10-5
  • NSC-34625
  • BRN 0113815
  • SR-05000002374
  • 4-hydroxy-6-methyl pyranone
  • 675-10-5
  • BRN 0113815
  • 3,5-Dihydroxysorbic acid delta-lactone
  • 6-methyl-4-oxidanyl-pyran-2-one
  • 4-hydroxy-6-methyl pyranone
  • CCG-39516
  • 3,5-Dihydroxysorbic acid delta-lactone
  • KBio2_007568
  • 6-methyl-4-oxidanyl-pyran-2-one
  • 4- hydoxy-6-methyl-2-pyrone
  • CCG-39516
  • 4-hydroxy-6 -methyl-2-pyrone
  • KBio2_007568
  • 6-methyl-4-hydroxy pyran-2-one
  • 4- hydoxy-6-methyl-2-pyrone
  • FT-0715301
  • 4-hydroxy-6 -methyl-2-pyrone
  • NSC 34625
  • 6-methyl-4-hydroxy pyran-2-one
  • H0715
  • FT-0715301
  • 6-Methyl-4-hydroxypyran-2-one
  • NSC 34625
  • NS00015328
  • H0715
  • 6-Methyl-4-hydroxypyran-2-one
  • 4-hydroxy-6-methylpyranone
  • NS00015328
  • CS-0061284
  • 4-hydroxy-6-methylpyranone
  • MFCD00006641
  • CS-0061284
  • KBio1_001856
  • MFCD00006641
  • A866649
  • KBio1_001856
  • Spectrum3_001720
  • KBioGR_002500
  • A866649
  • F0001-1779
  • Spectrum3_001720
  • Spectrum2_001978
  • KBioGR_002500
  • KBio2_005000
  • F0001-1779
  • BRD-K77202630-001-02-9
  • Spectrum2_001978
  • DivK1c_006912
  • KBio2_005000
  • DTXSID1060974
  • BRD-K77202630-001-02-9
  • OOKCZXGEYPSNIM-UHFFFAOYSA-N
  • DivK1c_006912
  • MFCD18820248
  • DTXSID1060974
  • NCGC00095976-02
  • OOKCZXGEYPSNIM-UHFFFAOYSA-N
  • AMY23278
  • MFCD18820248
  • 4-hydroxy-6-methyl-pyrone
  • NCGC00095976-02
  • SCHEMBL918518
  • AMY23278
  • 4-hydroxy-6-methyl-pyrone
  • SCHEMBL918518
物化性质
实验特性
PSA 46.53
计算特性
精确分子量 126.03168
氢键供体数量 1
氢键受体数量 3
可旋转化学键数量 0
同位素质量 126.031694049g/mol
重原子数量 9
复杂度 200
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 0.5
拓扑分子极性表面积 46.5
国际标准相关数据
EINECS 3600
专业数据库参考
PubChemId 54675757
化合物详情(旧版)

SMILES

CC1OC(=O)C=C(O)C=1

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