Cas no 61995-33-3 (3-Pyridinecarboxaldehyde, 1,2-dihydro-2-oxo-1-phenyl-)
61995-33-3 structure
Product Name:3-Pyridinecarboxaldehyde, 1,2-dihydro-2-oxo-1-phenyl-
CAS No:61995-33-3
MF:C12H9NO2
MW:199.205363035202
CID:461332
PubChem ID:12315694
Update Time:2025-04-19
3-Pyridinecarboxaldehyde, 1,2-dihydro-2-oxo-1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxaldehyde, 1,2-dihydro-2-oxo-1-phenyl-
- 2-oxo-1-phenylpyridine-3-carbaldehyde
- SCHEMBL16256868
- DTXSID90487487
- 61995-33-3
-
- Inchi： 1S/C12H9NO2/c14-9-10-5-4-8-13(12(10)15)11-6-2-1-3-7-11/h1-9H
- InChI Key： BGUJADYMKQFGJP-UHFFFAOYSA-N
- SMILES： O=C1C(C=O)=CC=CN1C1C=CC=CC=1
Computed Properties
- Exact Mass: 199.06337
- Monoisotopic Mass: 199.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 325
- 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: 1.6
- Topological Polar Surface Area: 37.4?2
Experimental Properties
- PSA: 37.38
3-Pyridinecarboxaldehyde, 1,2-dihydro-2-oxo-1-phenyl- Related Literature
-
Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
61995-33-3 (3-Pyridinecarboxaldehyde, 1,2-dihydro-2-oxo-1-phenyl-) Related Products
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