Cas no 30444-49-6 (Propanoic acid,2-hydroxy-, monophenyl deriv. (9CI))
30444-49-6 structure
Product Name:Propanoic acid,2-hydroxy-, monophenyl deriv. (9CI)
CAS No:30444-49-6
MF:C9H9O3
MW:165.165962934494
CID:314779
PubChem ID:3015501
Update Time:2025-04-19
Propanoic acid,2-hydroxy-, monophenyl deriv. (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,2-hydroxy-, monophenyl deriv. (9CI)
- (RS)-2-Phenyllactate
- 2-Hydroxy-2-phenyl-2-methylacetate
- 2-Hydroxy-2-phenylpropionate
- 2-phenyl-2-hydroxypropionate
- 2-Phenyllactate
- a-Hydroxy-2-phenylpropionate
- a-Hydroxy-a-methylbenzeneacetate
- a-Hydroxy-a-phenylpropionate
- alpha-Hydroxy-2-phenylpropionate
- 30444-49-6
- 2-hydroxy-2-phenylpropanoate
- DTXSID30952780
-
- Inchi： 1S/C9H10O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H,10,11)/p-1
- InChI Key： NWCHELUCVWSRRS-UHFFFAOYSA-M
- SMILES： OC(C(=O)[O-])(C)C1C=CC=CC=1
Computed Properties
- Exact Mass: 165.05517
- Monoisotopic Mass: 165.055169145g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 167
- 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: 60.4?2
Experimental Properties
- PSA: 60.36
Propanoic acid,2-hydroxy-, monophenyl deriv. (9CI) Related Literature
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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