Cas no 25139-77-9 ((S)-(-)-3-chlorobutanoic acid)
(S)-(-)-3-chlorobutanoic acid structure
Product Name:(S)-(-)-3-chlorobutanoic acid
CAS No:25139-77-9
MF:C4H7ClO2
MW:122.550180673599
CID:2932459
PubChem ID:642200
Update Time:2025-04-21
(S)-(-)-3-chlorobutanoic acid Chemical and Physical Properties
Names and Identifiers
-
- (S)-(-)-3-chlorobutanoic acid
- (S)-3-Chlor-buttersaeure;(S)-3-Chlor-buttersaeure, rechtsdrehende β-Chlor-buttersaeure;(S)-3-chloro-butyric acid;rechtsdrehende β-Chlor-buttersaeure;(+)-(S)-3-Chlor-butansaeure;(S)-3-chlorobutanoic acid;
- 25139-77-9
- 3-chloro-butyric acid
- AC1LD4HV
- SCHEMBL6460798
- DTXSID50348989
-
- Inchi： 1S/C4H7ClO2/c1-3(5)2-4(6)7/h3H,2H2,1H3,(H,6,7)/t3-/m0/s1
- InChI Key： XEEMVPPCXNTVNP-VKHMYHEASA-N
- SMILES： Cl[C@@H](C)CC(=O)O
Computed Properties
- Exact Mass: 122.01300
- Monoisotopic Mass: 122.0134572g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 72.1
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.30000
- LogP: 1.08840
(S)-(-)-3-chlorobutanoic acid Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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