Cas no 28600-64-8 (Pentanoic acid, chloro-)
Pentanoic acid, chloro- structure
Product Name:Pentanoic acid, chloro-
CAS No:28600-64-8
MF:C5H9ClO2
MW:136.576761007309
CID:1435524
PubChem ID:110794
Update Time:2025-04-20
Pentanoic acid, chloro- Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid, chloro-
- 2-chloropentanoic acid
- DTXSID10881105
- (S)-2-Chloropentanoic acid
- 32644-12-5
- 6155-96-0
- chlorovaleric acid
- SCHEMBL287797
- SB45501
- Pentanoic acid, 2-achloro-
- EN300-146246
- G46270
- 2-Chlorovaleric acid
- DTXSID10276092
- 28600-64-8
- 2-chloro-pentanoic acid
- 2-Chloropentanoicacid
- Pentanoic acid, 2-chloro-
-
- Inchi： 1S/C5H9ClO2/c1-2-3-4(6)5(7)8/h4H,2-3H2,1H3,(H,7,8)
- InChI Key： WZZRDRYYUVHLRD-UHFFFAOYSA-N
- SMILES： ClC(C(=O)O)CCC
Computed Properties
- Exact Mass: 136.02917
- Monoisotopic Mass: 136.0291072g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 82.5
- 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: 1.7
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Pentanoic acid, chloro- Related Literature
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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