Cas no 46114-86-7 (2-oxo-N-phenylpropanamide)
2-oxo-N-phenylpropanamide structure
Product Name:2-oxo-N-phenylpropanamide
CAS No:46114-86-7
MF:C9H9NO2
MW:163.173262357712
CID:930208
PubChem ID:317513
Update Time:2025-04-19
2-oxo-N-phenylpropanamide Chemical and Physical Properties
Names and Identifiers
-
- 2-oxo-N-phenylpropanamide
- 2-oxo-N-phenyl-propionamide
- 2-oxo-N-phenyl-propioneamide
- AC1L7W5M
- acetylcarboxanilide
- Glyoxylamide, N-phenyl-
- N-phenyl pyruvamide
- N-Phenyl-pyruvamid
- NSC249772
- pyruvanilide
- SureCN3415038
- 3H-044
- DB-344006
- DTXSID70312086
- NSC812707
- MFCD00027674
- 46114-86-7
- Propanamide, 2-oxo-N-phenyl-
- VOKLUGVCKPXDJE-UHFFFAOYSA-N
- 2-Oxo-N-phenylpropanamide #
- NSC-812707
- SCHEMBL3415038
- AKOS004903272
- Brenztraubensaureanilid
-
- MDL： MFCD00027674
- Inchi： 1S/C9H9NO2/c1-7(11)9(12)10-8-5-3-2-4-6-8/h2-6H,1H3,(H,10,12)
- InChI Key： VOKLUGVCKPXDJE-UHFFFAOYSA-N
- SMILES： O=C(C(C)=O)NC1C=CC=CC=1
Computed Properties
- Exact Mass: 163.06300
- Monoisotopic Mass: 163.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 183
- 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: 0.7
- Topological Polar Surface Area: 46.2?2
Experimental Properties
- PSA: 46.17000
- LogP: 1.28710
2-oxo-N-phenylpropanamide Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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