Home Carboxys 1,2-Dihydro-4-Methoxy-2-oxo-3-pyridinecarboxylic acid

1,2-Dihydro-4-Methoxy-2-oxo-3-pyridinecarboxylic acid

CAS No.:
87853-70-1
Catalog Number:
AG00GSHP
Molecular Formula:
C7H7NO4
Molecular Weight:
169.1348
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Product Description
Catalog Number:
AG00GSHP
Chemical Name:
1,2-Dihydro-4-Methoxy-2-oxo-3-pyridinecarboxylic acid
CAS Number:
87853-70-1
Molecular Formula:
C7H7NO4
Molecular Weight:
169.1348
MDL Number:
MFCD20654516
IUPAC Name:
4-methoxy-2-oxo-1H-pyridine-3-carboxylic acid
InChI:
InChI=1S/C7H7NO4/c1-12-4-2-3-8-6(9)5(4)7(10)11/h2-3H,1H3,(H,8,9)(H,10,11)
InChI Key:
BERLCVCBOXAQDJ-UHFFFAOYSA-N
SMILES:
COc1cc[nH]c(=O)c1C(=O)O
Properties
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.038g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
169.136g/mol
Monoisotopic Mass:
169.038g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties