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1242339-65-6 | 2-Pyridinecarboxylic acid, 5-(1,3-benzodioxol-5-yl)-
CAS No: 1242339-65-6 Catalog No: AG000LQZ MDL No:MFCD16817622
Product Description
Catalog Number:
AG000LQZ
Chemical Name:
2-Pyridinecarboxylic acid, 5-(1,3-benzodioxol-5-yl)-
CAS Number:
1242339-65-6
Molecular Formula:
C13H9NO4
Molecular Weight:
243.2149
MDL Number:
MFCD16817622
IUPAC Name:
5-(1,3-benzodioxol-5-yl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C13H9NO4/c15-13(16)10-3-1-9(6-14-10)8-2-4-11-12(5-8)18-7-17-11/h1-6H,7H2,(H,15,16)
InChI Key:
BXNYEVLXUVJXME-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cn1)c1ccc2c(c1)OCO2
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.218g/mol
Monoisotopic Mass:
243.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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