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79138-28-6 | 1-Methyl-2-oxo-1,2-dihydropyridine-3-carboxaldehyde
CAS No: 79138-28-6 Catalog No: AG003AWV MDL No:MFCD22071244
Product Description
Catalog Number:
AG003AWV
Chemical Name:
1-Methyl-2-oxo-1,2-dihydropyridine-3-carboxaldehyde
CAS Number:
79138-28-6
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
MDL Number:
MFCD22071244
IUPAC Name:
1-methyl-2-oxopyridine-3-carbaldehyde
InChI:
InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-9)7(8)10/h2-5H,1H3
InChI Key:
XOMXAUOIYFSKIE-UHFFFAOYSA-N
SMILES:
O=Cc1cccn(c1=O)C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.138g/mol
Monoisotopic Mass:
137.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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