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89937-77-9 | Methyl 2-Oxo-1,2-dihydropyridine-4-carboxylate
CAS No: 89937-77-9 Catalog No: AG003568 MDL No:MFCD09258780
Product Description
Catalog Number:
AG003568
Chemical Name:
Methyl 2-Oxo-1,2-dihydropyridine-4-carboxylate
CAS Number:
89937-77-9
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
MDL Number:
MFCD09258780
IUPAC Name:
methyl 2-oxo-1H-pyridine-4-carboxylate
InChI:
InChI=1S/C7H7NO3/c1-11-7(10)5-2-3-8-6(9)4-5/h2-4H,1H3,(H,8,9)
InChI Key:
DATHOCDTDDUESC-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc[nH]c(=O)c1
NSC Number:
132887
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.137g/mol
Monoisotopic Mass:
153.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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