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116060-92-5 | 2-Pyridinecarboxylic acid, 3-(4-methoxybenzoyl)-
CAS No: 116060-92-5 Catalog No: AG000BIO MDL No:
Product Description
Catalog Number:
AG000BIO
Chemical Name:
2-Pyridinecarboxylic acid, 3-(4-methoxybenzoyl)-
CAS Number:
116060-92-5
Molecular Formula:
C14H11NO4
Molecular Weight:
257.2414
IUPAC Name:
3-(4-methoxybenzoyl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C14H11NO4/c1-19-10-6-4-9(5-7-10)13(16)11-3-2-8-15-12(11)14(17)18/h2-8H,1H3,(H,17,18)
InChI Key:
AYPXSNXRKBOINP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)c1cccnc1C(=O)O
NSC Number:
280816
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.245g/mol
Monoisotopic Mass:
257.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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