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74885-84-0 | 1(2H)-Pyridinecarboxaldehyde, 2-oxo-
CAS No: 74885-84-0 Catalog No: AG008OPR MDL No:
Product Description
Catalog Number:
AG008OPR
Chemical Name:
1(2H)-Pyridinecarboxaldehyde, 2-oxo-
CAS Number:
74885-84-0
Molecular Formula:
C6H5NO2
Molecular Weight:
123.1094
IUPAC Name:
2-oxopyridine-1-carbaldehyde
InChI:
InChI=1S/C6H5NO2/c8-5-7-4-2-1-3-6(7)9/h1-5H
InChI Key:
ABWLCSVFXXUOJK-UHFFFAOYSA-N
SMILES:
O=Cn1ccccc1=O
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.032g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
123.111g/mol
Monoisotopic Mass:
123.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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