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149506-93-4 | [1,1'-Biphenyl]-3-carboxylic acid, 4'-cyano-
CAS No: 149506-93-4 Catalog No: AG001LSE MDL No:MFCD04117352
Product Description
Catalog Number:
AG001LSE
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 4'-cyano-
CAS Number:
149506-93-4
Molecular Formula:
C14H9NO2
Molecular Weight:
223.2268
MDL Number:
MFCD04117352
IUPAC Name:
3-(4-cyanophenyl)benzoic acid
InChI:
InChI=1S/C14H9NO2/c15-9-10-4-6-11(7-5-10)12-2-1-3-13(8-12)14(16)17/h1-8H,(H,16,17)
InChI Key:
WLUGFHVTVXLVFB-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1cccc(c1)C(=O)O
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.063g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.231g/mol
Monoisotopic Mass:
223.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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