3-cyclopentyl-2-(3,4-dichlorophenyl)propanoic Acid

HCID 2762725CAS 300355-34-4

基本信息

标准SMILES: O=C(O)C(CC1CCCC1)c1ccc(Cl)c(Cl)c1
InChIKey: FJSODZKQLZQDHD-UHFFFAOYSA-N
分子式: C14H16Cl2O2
平均分子量: 287.2 g/mol
单同位素质量: 286.0527351

名称与标识

首选名称: 3-cyclopentyl-2-(3,4-dichlorophenyl)propanoic Acid
IUPAC: 3-cyclopentyl-2-(3,4-dichlorophenyl)propanoic acid

名称与别名

3-cyclopentyl-2-(3,4-dichlorophenyl)propanoic Acid300355-34-4SCHEMBL1859326DTXSID20376395FJSODZKQLZQDHD-UHFFFAOYSA-N3-cyclopentyl-2-(3,4-dichloro-phenyl)-propionic acid3-cyclopentyl-2-(3,4-dichlorophenyl)-propionic acid

数据库标识

CAS: 300355-34-4
PubChem CID: 2762725
DTXSID: DTXSID20376395

性质

结构计算性质

XLogP: 5.2
极性表面积: 37.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 4
重原子: 18
形式电荷: 0
复杂度: 290

相关反应

124 条

新建反应记录

HRID 114542作为反应物Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 121085作为反应物Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 125407作为反应物Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 149601作为反应物Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 156785作为反应物Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 180389作为反应物Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 195072作为反应物Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 195142作为反应物Training data from https://doi.org/10.1039/C8SC04228D (6/10)

关联笔记

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