2-Methylcinnamic Acid, Predominantly trans | 939-57-1
2-Methylcinnamic Acid, Predominantly trans
939-57-1
C10H10O2
162.185203075409
名称和标识符
MDL |
MFCD00016841 |
InChIKey |
RSWBWHPZXKLUEX-VOTSOKGWSA-N |
Inchi |
InChI=1S/C10H10O2/c1-8-4-2-3-5-9(8)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+ |
SMILES |
CC1=CC=CC=C1/C=C/C(=O)O |
别名信息
- 英文别名 -
- (E)-3-(2-methylphenyl)prop-2-enoic acid
- trans-2-methylcinnamic acid
- M1295
- (2E)-3-(2-methylphenyl)prop-2-enoic acid
- (E)-3-(2-Methylphenyl)-2-propenoic acid
- 2-Methylcinnamicacid
- MS-8968
- Z2417574586
- (E)-3-o-tolyl-acrylic acid
- NSC-99069
- o-Methylcinnamic acid
- NSC 99069
- (2E)-3-(2-methylphenyl)acrylic acid
- InChI=1/C10H10O2/c1-8-4-2-3-5-9(8)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+
- LS-13764
- (E)-3-o-tolylacrylic acid
- AI-942/25034752
- 939-57-1
- CHEBI:181430
- MFCD00016841
- 3-(2-methylphenyl)prop-2-enoic acid
- 2373-76-4
- A4948
- 2-Methylcinnamic acid, predominantly trans, 99%
- (E)-3-(o-Tolyl)acrylic acid
- RSWBWHPZXKLUEX-VOTSOKGWSA-N
- CHEMBL1771751
- BB 0262416
- EINECS 219-150-5
- NoName_96
- EN300-11132
- 3-(o-Tolyl)acrylic acid
- SCHEMBL78555
- RSWBWHPZXKLUEX-VOTSOKGWSA-
- NS00048766
- 2-Propenoic acid, 3-(2-methylphenyl)-
- (E)-3-(o-Tolyl)acrylicacid
- Q-101986
- DTXSID80901046
- AKOS000263552
- ETHYL4-(TERT-BUTOXYCARBONYLAMINO)BENZOATE
- F2121-0050
- NSC99069
- CS-0152965
- EN300-832915
- 2-Methylcinnamic acid, predominantly trans
- A845157
- 2-Methylcinnamic Acid
- 3-(2-methylphenyl)acrylic acid
物化性质
计算特性
精确分子量 |
162.068079557g/mol |
氢键供体数量 |
1 |
氢键受体数量 |
2 |
可旋转化学键数量 |
2 |
同位素质量 |
162.068079557g/mol |
重原子数量 |
12 |
复杂度 |
184 |
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) |
2.3 |
拓扑分子极性表面积 |
37.3Ų |
2-Methylcinnamic Acid, Predominantly trans推荐生产厂家