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27693-49-8 | Benzoic acid, 2-(2-pyridinylcarbonyl)-
CAS No: 27693-49-8 Catalog No: AG002UI7 MDL No:
Product Description
Catalog Number:
AG002UI7
Chemical Name:
Benzoic acid, 2-(2-pyridinylcarbonyl)-
CAS Number:
27693-49-8
Molecular Formula:
C13H9NO3
Molecular Weight:
227.2155
IUPAC Name:
2-(pyridine-2-carbonyl)benzoic acid
InChI:
InChI=1S/C13H9NO3/c15-12(11-7-3-4-8-14-11)9-5-1-2-6-10(9)13(16)17/h1-8H,(H,16,17)
InChI Key:
WTUKXPYMQWVXOB-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C(=O)O)c1ccccn1
NSC Number:
320001
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.058g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.219g/mol
Monoisotopic Mass:
227.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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