Cas no 24256-91-5 ((S)-2-Hydroxy-2-phenylbutyric acid)
24256-91-5 structure
Product Name:(S)-2-Hydroxy-2-phenylbutyric acid
CAS No:24256-91-5
MF:C10H12O3
MW:180.200483322144
CID:851341
PubChem ID:7188283
Update Time:2025-04-19
(S)-2-Hydroxy-2-phenylbutyric acid Chemical and Physical Properties
Names and Identifiers
-
- (S)-2-Hydroxy-2-phenylbutyric acid
- (+)-α-Ethyl-L-mandelic acid
- (S)-2-Phenyl-2-hydroxybutanoic acid
- [S,(+)]-α-Ethyl-α-hydroxybenzeneacetic acid
- 2-Hydroxy-2-phenylbutanoic acid
-
- Inchi： 1S/C10H12O3/c1-2-10(13,9(11)12)8-6-4-3-5-7-8/h3-7,13H,2H2,1H3,(H,11,12)/t10-/m0/s1
- InChI Key： QYCBZFRDGXIZIP-JTQLQIEISA-N
- SMILES： O[C@](C(=O)O)(C1C=CC=CC=1)CC
Computed Properties
- Exact Mass: 180.078644241g/mol
- Monoisotopic Mass: 180.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 185
- 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: 1.8
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- Melting Point: 110-116?°C
- PSA: 57.53000
- LogP: 1.36880
(S)-2-Hydroxy-2-phenylbutyric acid Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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