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1796-83-4 | 3,4-Pyridinedicarboxylic acid, 3,4-dimethyl ester
CAS No: 1796-83-4 Catalog No: AG00274M MDL No:MFCD00160293
Product Description
Catalog Number:
AG00274M
Chemical Name:
3,4-Pyridinedicarboxylic acid, 3,4-dimethyl ester
CAS Number:
1796-83-4
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD00160293
IUPAC Name:
dimethyl pyridine-3,4-dicarboxylate
InChI:
InChI=1S/C9H9NO4/c1-13-8(11)6-3-4-10-5-7(6)9(12)14-2/h3-5H,1-2H3
InChI Key:
AUQUSBAFIHOGHK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnccc1C(=O)OC
UNII:
0B88VPP2OQ
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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