Cas no 88768-11-0 (5-Phenyl-2-Keto-Valeric Acid)
5-Phenyl-2-Keto-Valeric Acid structure
Product Name:5-Phenyl-2-Keto-Valeric Acid
CAS No:88768-11-0
MF:C11H12O3
MW:192.211183547974
CID:621806
PubChem ID:13294447
Update Time:2024-03-01
5-Phenyl-2-Keto-Valeric Acid Chemical and Physical Properties
Names and Identifiers
-
- Benzenepentanoic acid, a-oxo-
- 5-Phenyl-2-Keto-Valeric Acid
- 2-oxo-5-phenylpentanoic acid
- Benzenepentanoic acid, alpha-oxo-
- 2-oxo-5-phenylvaleric acid
- alpha-Oxobenzenepentanoic acid
- 2-keto-5-phenyl-valeric acid
- DB08050
- Q27097284
- KPV
-
- Inchi： 1S/C11H12O3/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14)
- InChI Key： MJXXAPORLGKVLB-UHFFFAOYSA-N
- SMILES： O=C(C(=O)O)CCCC1C=CC=CC=1
Computed Properties
- Exact Mass: 192.078644241g/mol
- Monoisotopic Mass: 192.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 205
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 54.4
5-Phenyl-2-Keto-Valeric Acid Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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