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852936-60-8 | 2,6-Pyridinedicarboxylic acid, 4-(hydroxymethyl)-, dimethyl ester
CAS No: 852936-60-8 Catalog No: AG004UVI MDL No:
Product Description
Catalog Number:
AG004UVI
Chemical Name:
2,6-Pyridinedicarboxylic acid, 4-(hydroxymethyl)-, dimethyl ester
CAS Number:
852936-60-8
Molecular Formula:
C10H11NO5
Molecular Weight:
225.1980
IUPAC Name:
dimethyl 4-(hydroxymethyl)pyridine-2,6-dicarboxylate
InChI:
InChI=1S/C10H11NO5/c1-15-9(13)7-3-6(5-12)4-8(11-7)10(14)16-2/h3-4,12H,5H2,1-2H3
InChI Key:
UJJJESXBXYFZCR-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(CO)cc(n1)C(=O)OC
Properties
Complexity:
244
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:
5
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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