Synonyms
3-Pyridinecarboxaldehyde, 1,2-dihydro-2-oxo-; BR-23653; 32768-36-8; RP09657; 2-Oxo-1,2-dihydro-3-pyridinecarbaldehyde; SC-27712; MFCD07698588; AC1OERRV; AM20070207; SCHEMBL1413944;
IUPAC Name
2-oxo-1H-pyridine-3-carbaldehyde;
Molecular Weight
123.111g/mol
Molecular Formula
C6H5NO2;
Canonical SMILES
C1=CNC(=O)C(=C1)C=O;
InChI
InChI=1S/C6H5NO2/c8-4-5-2-1-3-7-6(5)9/h1-4H,(H,7,9);
InChI Key
DNTYEVWEOFZXFE-UHFFFAOYSA-N;
Storage
2-8°C
Complexity
203
Covalently-Bonded Unit Count
1
Exact Mass
123.032g/mol
H-Bond Acceptor
2
H-Bond Donor
1
Heavy Atom Count
9
Monoisotopic Mass
123.032g/mol
Rotatable Bond Count
1
Topological Polar Surface Area
46.2A^2
