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3-羟基丁酸 | 625-71-8

3-羟基丁酸结构式图片|625-71-8结构式图片
3-羟基丁酸
3-Hydroxybutyric acid
625-71-8
C4H8O3
104.10
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:3-羟基丁酸结构式
441
3-羟基丁酸价格
名称和标识符
MDL MFCD00004546
InChIKey WHBMMWSBFZVSSR-UHFFFAOYSA-N
Inchi 1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)
SMILES CC(O)CC(O)=O
别名信息
- 中文别名 -
  • 3-羟基丁酸
  • DL-3-羟基-n-丁酸
- 英文别名 -
  • 3-Hydroxybutyric acid
  • 3-Hydroxybutanoic acid
  • DL-3-HYDROXY-N-BUTYRIC ACID
  • 3 HBA
  • 3 hydroxybutyrate
  • 3-hydroxy-butanoicaci
  • 3-hydroxy-butyric acid
  • Butanoic acid,3-hydroxy
  • Butyric acid,3-hydroxy
  • D-3-hydroxybutyric acid
  • DL-3-Hydroxybutanoic acid
  • RARECHEM AL BO 1231
  • LMFA01050005
  • Butyric acid, 3-hydroxy-
  • .beta.-Hydroxybutyric acid
  • 3-hydroxybutanoic acid
  • CHEMBL1162496
  • EINECS 210-908-0
  • SY076545
  • 3-hydroxybutyric acid, (+/-)-
  • beta-Hydroxy-n-butyric acid
  • AMY10050
  • MFCD00004546
  • (+/-)-3-Hydroxybutanoic acid
  • A833855
  • SMR000112209
  • 3-Hydroxybuttersaeure
  • D84191
  • MFCD00137685
  • EINECS 206-099-9
  • 3-Hydroxybutyric acid, 95%
  • 3-Hydroxybutanoic Acid + 3-(3-Hydroxybutyryloxy)butyric Acid (CAS:7565-79-9) (50:50 Mixture)
  • SY074781
  • J-017776
  • NSC 3806
  • DL-3-HydroxybutyricAcid
  • SCHEMBL2731
  • FT-0625402
  • BETA-HYDROXYBUTYRIC ACID [WHO-DD]
  • 3-hydroxy-butanoic acid
  • beta-hydroxy-butyrate
  • SY114480
  • J-016241
  • 3-Hydroxybutyric acid, tech grade
  • AB88579
  • DL-.beta.-Hydroxybutyric acid
  • 26063-00-3
  • (+/-)-3-Hydroxybutyric Acid
  • DL-beta-Hydroxybutyric acid
  • NS00014717
  • UNII-TZP1275679
  • 3-hydroxybutyric acid
  • TZP1275679
  • (.+/-.)-3-Hydroxybutyric acid
  • beta-hydroxybutyrate
  • 3-HYDROXYBUTYRICACID
  • BHBA
  • s1031
  • NSC-3806
  • 3- hydroxybutyric acid
  • beta-Hydroxybutyric acid
  • (+-)-3-Hydroxybutyric acid
  • .BETA.HYDROXYBUTYRIC ACID
  • Butanoic acid, 3-hydroxy-, (A+/-)-
  • 625-71-8
  • NSC3806
  • MLS001332397
  • DL-3-Hydroxybutyric Acid
  • Butyric acid, 3-hydroxy- (8CI)
  • AI3-21675
  • AKOS009156821
  • 3-OH-butyric acid
  • Q223092
  • EN300-147463
  • D(-)-beta-hydroxy butyric acid
  • beta-hydroxybutanoic acid
  • HY-113378
  • (+/-)-beta-Hydroxybutyrate
  • CS-0062335
  • (+/-)-3-Hydroxybutyric Acid (Technical Grade)
  • VS-08544
  • MLS001332398
  • CHEBI:20067
  • d,l-3-hydroxybutyric acid
  • FT-0615836
  • bmse000905
  • FT-0605325
  • HB4640
  • .beta.-Hydroxy-n-butyric acid
  • Butanoic acid, 3-hydroxy-
  • D,l-3 hydroxybutyrate
  • bmse000161
  • AC-5701
  • HMS3369F13
  • FT-0605155
  • 3-HYDROXYBUTYRIC ACID [INCI]
  • beta-Hydroxybuttersaeure
  • A876308
  • (1)-3-Hydroxybutyric acid
  • (RS)-3-hydroxybutyric acid
  • .BETA.-HYDROXYBUTYRIC ACID [MI]
  • H0228
  • SB44475
  • HMS2270C20
  • 300-85-6
  • Hydroxybutyric acid, dl-
  • poly(3-hydroxybutyric acid)
  • DTXSID60859511
  • 869DD3C9-3114-4BE2-B4A6-6F1787476E95
物化性质
实验特性
LogP -0.15810
PSA 57.53000
折射率 1.443
沸点 118-120 ºC (2 mmHg)
熔点 49°C
闪点 >110 ºC
FEMA 3282
颜色与性状 Cryst.
溶解性 >10%
酸度系数(pKa) 4.70(at 25℃)
密度 1.126
计算特性
精确分子量 104.04700
氢键供体数量 2
氢键受体数量 3
可旋转化学键数量 2
同位素质量 104.047344
重原子数量 7
复杂度 69.3
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 1
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
互变异构体数量 未确定
表面电荷 0
拓扑分子极性表面积 57.5
国际标准相关数据
EINECS 210-908-0
相关文献
专业数据库参考
PubChemId 441
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