Cas no 26329-66-8 (Butanoic acid, 4-chloro-3-hydroxy-)
26329-66-8 structure
Product Name:Butanoic acid, 4-chloro-3-hydroxy-
CAS No:26329-66-8
MF:C4H7ClO3
MW:138.549580812454
CID:1426483
PubChem ID:10129995
Update Time:2025-04-20
Butanoic acid, 4-chloro-3-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 4-chloro-3-hydroxy-
- 4-chloro-3-hydroxybutyric acid
- 26329-66-8
- SCHEMBL374298
- 4-chloro-3-hydroxybutanoic acid
- 95574-97-3
- 4-chloro-3-hydroxybutanoate
-
- Inchi： 1S/C4H7ClO3/c5-2-3(6)1-4(7)8/h3,6H,1-2H2,(H,7,8)
- InChI Key： AKDAXGMVRMXFOO-UHFFFAOYSA-N
- SMILES： ClCC(CC(=O)O)O
Computed Properties
- Exact Mass: 138.00841
- Monoisotopic Mass: 138.0083718g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 83.4
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.3
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
Butanoic acid, 4-chloro-3-hydroxy- Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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