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1171919-98-4 | 3-Pyridinecarboxylic acid, 1,6-dihydro-5-methoxy-6-oxo-
CAS No: 1171919-98-4 Catalog No: AG000DVY MDL No:MFCD12401649
Product Description
Catalog Number:
AG000DVY
Chemical Name:
3-Pyridinecarboxylic acid, 1,6-dihydro-5-methoxy-6-oxo-
CAS Number:
1171919-98-4
Molecular Formula:
C7H7NO4
Molecular Weight:
169.1348
MDL Number:
MFCD12401649
IUPAC Name:
5-methoxy-6-oxo-1H-pyridine-3-carboxylic acid
InChI:
InChI=1S/C7H7NO4/c1-12-5-2-4(7(10)11)3-8-6(5)9/h2-3H,1H3,(H,8,9)(H,10,11)
InChI Key:
ZITCWCFJHLJFOA-UHFFFAOYSA-N
SMILES:
COc1cc(c[nH]c1=O)C(=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:
-0.4
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