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
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
- 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
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 |