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893737-23-0 | 5-(p-Tolyl);nicotinic acid
CAS No: 893737-23-0 Catalog No: AG003XAV MDL No:MFCD06410271
Product Description
Catalog Number:
AG003XAV
Chemical Name:
5-(p-Tolyl);nicotinic acid
CAS Number:
893737-23-0
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
MDL Number:
MFCD06410271
IUPAC Name:
5-(4-methylphenyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C13H11NO2/c1-9-2-4-10(5-3-9)11-6-12(13(15)16)8-14-7-11/h2-8H,1H3,(H,15,16)
InChI Key:
VMJRUHLJFKPQHV-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1cncc(c1)C(=O)O
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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