反式-2-辛烯酸 | 1871-67-6
中文名称:
反式-2-辛烯酸
英文名称:
trans-2-Octenoic Acid
CAS No.:
1871-67-6
分子式:
C8 H1 4 O2
分子量:
142.19556
名称和标识符
MDL
MFCD00002706
InChIKey
CWMPPVPFLSZGCY-VOTSOKGWSA-N
Inchi
1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/b7-6+
SMILES
CCCCC/C=C/C(=O)O
BRN
1721115
别名信息
- 中文别名 -
反式-2-辛烯酸
反-2-辛烯酸
(E)-2-辛烯酸
[(丙烯氧基)羰基]-N-芴甲氧羰基-L-赖氨酸
2-辛烯酸
trans-2-Octenoic Acid 反-2-辛烯酸
反式 2-辛烯酸
-2-辛烯酸
反式-2-辛烯酸,94%
- 英文别名 -
2-Octenoic acid
Octenoicacidpract
2-Octenoic acid,predominantly trans
pentadecafluorooctanoic acid
trans-2-Octenoic acid
heptenecarboxylic acid
octenoic acid
RARECHEM AL BK 0164
T2 OCTENOIC ACID
2-Octenoic acid,(E)-
FEMA NUMBER 3957
oct-2-enoic acid
(E)-2-Octenoicacid
(E)-oct-2-enoic acid
2-OCTENOIC ACID
TRANS-2-OCTENOIC ACID
物化性质
实验特性
LogP
2.20750
PSA
37.30000
折射率
n20/D 1.4588(lit.)
沸点
143°C/15mmHg(lit.)
熔点
5-6 °C (lit.)
闪点
华氏:235.4 °F 摄氏:113 °C
FEMA
3957 | (E)-2-OCTENOIC ACID
颜色与性状
液体
溶解性
难溶解于水的
密度
0.944 g/mL at 25 °C(lit.)
计算特性
精确分子量
142.09900
氢键供体数量
1
氢键受体数量
2
可旋转化学键数量
5
同位素质量
142.099
重原子数量
10
复杂度
116
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)
2.7
表面电荷
0
拓扑分子极性表面积
37.3
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参考资料
Reaxys RN
1721115
Beilstein
T162199
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