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1190322-55-4 | 3-Pyridinecarboxylic acid, 4-hydroxy-2-methoxy-, methyl ester
CAS No: 1190322-55-4 Catalog No: AG000I1M MDL No:
Product Description
Catalog Number:
AG000I1M
Chemical Name:
3-Pyridinecarboxylic acid, 4-hydroxy-2-methoxy-, methyl ester
CAS Number:
1190322-55-4
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
IUPAC Name:
methyl 2-methoxy-4-oxo-1H-pyridine-3-carboxylate
InChI:
InChI=1S/C8H9NO4/c1-12-7-6(8(11)13-2)5(10)3-4-9-7/h3-4H,1-2H3,(H,9,10)
InChI Key:
ULLSDTCWMVMWGT-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(O)ccnc1OC
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.163g/mol
Monoisotopic Mass:
183.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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