Cas no 21632-25-7 (2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER)
21632-25-7 structure
Product Name:2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER
CAS No:21632-25-7
MF:C10H12O3
MW:180.200483322144
CID:911940
PubChem ID:518800
Update Time:2025-04-19
2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER Chemical and Physical Properties
Names and Identifiers
-
- 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER
- Methyl 2-hydroxy-3-phenylpropanoate
- 3-phenyllactic methyl ester
- Lactic acid, 3-phenyl-, methyl ester
- 13674-16-3
- .beta.-Phenyllactic acid methyl ester
- SY112626
- A886643
- SCHEMBL979240
- 2-Hydroxy-3-phenylpropanoic acid methyl ester
- Methyl 2-hydroxy-3-phenylpropanoate #
- 21632-25-7
- methyl 2-hydroxy-3-phenyl-propanoate
- 3-phenyllactic acid methyl ester
- Papuline; Benzenepropanoic acid, a-hydroxy-, Methyl ester
- DB-011728
- DS-14107
- SY033769
- CS-W018849
- MFCD06654233
- MFCD00038224
- DA-20904
- SY033782
- Methyl 2-hydroxy-3-phenylpropionate
- Methyl benzylglycolate
- DTXSID90929534
- EN300-140949
- alpha-Hydroxybenzenepropanoic acid methyl ester; L-3-Phenyl-lactic acid methyl ester; (-)-3-Phenyllactic acid methyl ester
- Methyl2-hydroxy-3-phenylpropanoate
- MFCD09842268
- DB-023678
- Benzenepropanoic acid, .alpha.-hydroxy-, methyl ester
- AKOS011495895
-
- Inchi： 1S/C10H12O3/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3
- InChI Key： NMPPJJIBQQCOOI-UHFFFAOYSA-N
- SMILES： COC(C(CC1C=CC=CC=1)O)=O
Computed Properties
- Exact Mass: 180.078644241g/mol
- Monoisotopic Mass: 180.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 162
- 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: 1.5
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53000
- LogP: 0.76300
2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
21632-25-7 (2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER) Related Products
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