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115830-19-8 | 3,4-Pyridinedicarboxylic acid, 5-(acetyloxy)-6-methyl-
CAS No: 115830-19-8 Catalog No: AG000GXJ MDL No:
Product Description
Catalog Number:
AG000GXJ
Chemical Name:
3,4-Pyridinedicarboxylic acid, 5-(acetyloxy)-6-methyl-
CAS Number:
115830-19-8
Molecular Formula:
C10H9NO6
Molecular Weight:
239.1816
IUPAC Name:
5-acetyloxy-6-methylpyridine-3,4-dicarboxylic acid
InChI:
InChI=1S/C10H9NO6/c1-4-8(17-5(2)12)7(10(15)16)6(3-11-4)9(13)14/h3H,1-2H3,(H,13,14)(H,15,16)
InChI Key:
SGGAAQBUCMRISN-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1c(C)ncc(c1C(=O)O)C(=O)O
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.043g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.183g/mol
Monoisotopic Mass:
239.043g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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