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Home > Pyridines > 1480111-47-4
1480111-47-4 | 4-[2-(pyridin-3-yl)acetamido]benzoic acid
CAS No: 1480111-47-4 Catalog No: AG01EKJF MDL No:MFCD17519652
Product Description
Catalog Number:
AG01EKJF
Chemical Name:
4-[2-(pyridin-3-yl)acetamido]benzoic acid
CAS Number:
1480111-47-4
Molecular Formula:
C14H12N2O3
Molecular Weight:
256.2567
MDL Number:
MFCD17519652
IUPAC Name:
4-[(2-pyridin-3-ylacetyl)amino]benzoic acid
InChI:
InChI=1S/C14H12N2O3/c17-13(8-10-2-1-7-15-9-10)16-12-5-3-11(4-6-12)14(18)19/h1-7,9H,8H2,(H,16,17)(H,18,19)
InChI Key:
FNRZGSHYACCXHY-UHFFFAOYSA-N
SMILES:
O=C(Cc1cccnc1)Nc1ccc(cc1)C(=O)O
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.261g/mol
Monoisotopic Mass:
256.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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