2-丙烯酸,3-(2,3-二羟基苯基)-(2E)- | 38481-04-8
2-丙烯酸,3-(2,3-二羟基苯基)-(2E)-
2-Propenoic acid, 3-(2,3-dihydroxyphenyl)-, (2E)-
38481-04-8
C9H8O4
180.15742
名称和标识符
MDL |
MFCD03002838 |
InChIKey |
SIUKXCMDYPYCLH-SNAWJCMRSA-N |
Inchi |
InChI=1S/C9H8O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-5,10,13H,(H,11,12)/b5-4+ |
SMILES |
C1=CC(=C(C(=C1)O)O)/C=C/C(=O)O |
别名信息
- 英文别名 -
- 2-Propenoic acid, 3-(2,3-dihydroxyphenyl)-, (2E)-
- 2,3-dihydroxy-trans-cinnamic acid
- DTXSID601030503
- 31082-90-3
- Z1198161241
- 8EU63XMR43
- 3-(2,3-dihydroxyphenyl)-2-propenoic acid
- 3-(2,3-dihydroxyphenyl)prop-2-enoic acid
- (E)-3-(2,3-Dihydroxyphenyl)-2-propenoic acid
- trans-2,3-Dihydroxycinnamate
- UNII-8EU63XMR43
- (2E)-3-(2,3-dihydroxyphenyl)prop-2-enoic acid
- SCHEMBL89185
- CHEBI:32356
- (2E)-3-(2,3-dihydroxyphenyl)acrylic acid
- 38481-04-8
- AKOS006276935
- 3-(2,3-dihydroxyphenyl)acrylic acid
- CHEBI:48681
- (E)-2-PROPENOIC ACID,3-(2,3-DIHYDROXYPHENYL)-
- 1ST178425
- Anthenobilic acid
- CINNAMIC ACID, 2,3-DIHYDROXY-
- EN300-1869319
- 2,3-Dihydroxycinnamic acid
- 2-Propenoic acid, 3-(2,3-dihydroxyphenyl)-
- Q4596762
- (E)-3-(2,3-Dihydroxyphenyl)acrylic acid
- (E)-3-(2,3-dihydroxyphenyl)prop-2-enoic acid
物化性质
实验特性
计算特性
精确分子量 |
180.04224 |
氢键供体数量 |
3 |
氢键受体数量 |
4 |
可旋转化学键数量 |
2 |
同位素质量 |
180.04225873g/mol |
重原子数量 |
13 |
复杂度 |
212 |
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 |
1 |
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) |
1.2 |
拓扑分子极性表面积 |
77.8Ų |
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