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18872-74-7 | 3,4-Pyridinedicarboxylic acid, 5-hydroxy-6-methyl-, 3,4-dimethyl ester
CAS No: 18872-74-7 Catalog No: AG002H7K MDL No:MFCD00988303
Product Description
Catalog Number:
AG002H7K
Chemical Name:
3,4-Pyridinedicarboxylic acid, 5-hydroxy-6-methyl-, 3,4-dimethyl ester
CAS Number:
18872-74-7
Molecular Formula:
C10H11NO5
Molecular Weight:
225.1980
MDL Number:
MFCD00988303
IUPAC Name:
dimethyl 5-hydroxy-6-methylpyridine-3,4-dicarboxylate
InChI:
InChI=1S/C10H11NO5/c1-5-8(12)7(10(14)16-3)6(4-11-5)9(13)15-2/h4,12H,1-3H3
InChI Key:
HKGQTRSBDGGXBS-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(c(c1C(=O)OC)O)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.2g/mol
Monoisotopic Mass:
225.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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