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2-(3,4-Dihydroxyphenyl)lactic acid | 22681-72-7

Product Name:2-(3,4-Dihydroxyphenyl)lactic acid

CAS No:22681-72-7
MF:C9H10O5
MW:198.1727
MDL:MFCD09750417
CID:273806
PubChem ID:152463
Names and Identifiers
  • 2-(3,4-Dihydroxyphenyl)lactic acid
  • alpha-(3,4-dihydroxyphenyl)lactic acid
  • alpha-Dhpla
  • Benzeneacetic acid, alpha,3,4-trihydroxy-alpha-methyl-
  • 2-(3,4-dihydroxyphenyl)-2-hydroxypropanoic acid
  • Benzeneacetic acid, a,3,4-trihydroxy-a-methyl-
  • Danshensu
  • AC1L48EL
  • AG-E-65004
  • CTK4E9937
  • FT-0688301
  • SureCN1805555
  • SCHEMBL1805555
  • DTXSID00945346
  • AKOS006320838
  • alpha-(3,4-Dihydroxyphenyl)lactic acid
  • Lactic acid, 2-(3,4-dihydroxyphenyl)-
  • NS00123700
  • 2-(3,4-dihydroxyphenyl)-2-hydroxypropanoicacid
  • 22681-72-7
  • MDL:MFCD09750417
  • InChIKey:NDGMYGNFKSMYBB-UHFFFAOYSA-N
  • Inchi:InChI=1S/C9H10O5/c1-9(14,8(12)13)5-2-3-6(10)7(11)4-5/h2-4,10-11,14H,1H3,(H,12,13)
  • SMILES:CC(C1=CC(=C(C=C1)O)O)(C(=O)O)O
Chemical and Physical Properties

Computed Properties

  • 精确分子量: 198.05300
  • 氢键供体数量: 4
  • 氢键受体数量: 5
  • 可旋转化学键数量: 2
  • 同位素质量: 198.053
  • 重原子数量: 14
  • 复杂度: 229
  • 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): 0.3
  • 拓扑分子极性表面积: 98A^2

Experimental Properties

  • LogP: 0.38990
  • PSA: 97.99000
  • 折射率: 1.649
  • 沸点: 480.3±40.0 °C at 760 mmHg
  • 熔点: No data available
  • 蒸气压: No data available
  • 闪点: 258.4±23.8 °C
  • 溶解度: 易溶 (110 g/L) (25 ºC),
  • 颜色与性状: Powder
  • 密度: 1.540±0.06 g/cm3 (20 ºC 760 Torr),
Security Information
  • 安全说明:H303+H313+H333
  • 危害声明:H303+H313+H333
  • 警示性声明:P264+P280+P305+P351+P338+P337+P313
  • 储存条件:4°C条件下存储,-4摄氏度存储更佳
  • 信号词:warning
Customs Data
  • 海关编码:2942000000
  • 海关数据:

    中国海关编码:

    2942000000
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