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21642-98-8 | 4-Methoxy-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS No: 21642-98-8 Catalog No: AG003LMH MDL No:MFCD00975442
Product Description
Catalog Number:
AG003LMH
Chemical Name:
4-Methoxy-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS Number:
21642-98-8
Molecular Formula:
C7H6N2O2
Molecular Weight:
150.1347
MDL Number:
MFCD00975442
IUPAC Name:
4-methoxy-2-oxo-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C7H6N2O2/c1-11-6-2-3-9-7(10)5(6)4-8/h2-3H,1H3,(H,9,10)
InChI Key:
MWGIDWPSRDMIQN-UHFFFAOYSA-N
SMILES:
COc1cc[nH]c(=O)c1C#N
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.137g/mol
Monoisotopic Mass:
150.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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