Cas no 89693-37-8 (Butanoic acid, 4-chloro-3-hydroxy-, 1-methylethyl ester)
89693-37-8 structure
Product Name:Butanoic acid, 4-chloro-3-hydroxy-, 1-methylethyl ester
CAS No:89693-37-8
MF:C7H13ClO3
MW:180.629321813583
CID:592153
PubChem ID:11769155
Update Time:2025-04-19
Butanoic acid, 4-chloro-3-hydroxy-, 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 4-chloro-3-hydroxy-, 1-methylethyl ester
- propan-2-yl 4-chloro-3-hydroxybutanoate
- 89693-37-8
- BZXNYWHUGJDAFS-UHFFFAOYSA-N
- DTXSID20472109
- ISOPROPYL 4-CHLORO-3-HYDROXYBUTANOATE
- 4-chloro-3-hydroxybutanoic acid isopropyl ester
- SCHEMBL3681340
-
- Inchi： 1S/C7H13ClO3/c1-5(2)11-7(10)3-6(9)4-8/h5-6,9H,3-4H2,1-2H3
- InChI Key： BZXNYWHUGJDAFS-UHFFFAOYSA-N
- SMILES： ClCC(CC(=O)OC(C)C)O
Computed Properties
- Exact Mass: 180.0553220g/mol
- Monoisotopic Mass: 180.0553220g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 125
- 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: 0.8
- Topological Polar Surface Area: 46.5?2
Butanoic acid, 4-chloro-3-hydroxy-, 1-methylethyl ester Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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