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1258637-09-0 | [1,1'-Biphenyl]-3-carboxylic acid, 3'-cyano-5-hydroxy-
CAS No: 1258637-09-0 Catalog No: AG000OVT MDL No:MFCD18086682
Product Description
Catalog Number:
AG000OVT
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 3'-cyano-5-hydroxy-
CAS Number:
1258637-09-0
Molecular Formula:
C14H9NO3
Molecular Weight:
239.2262
MDL Number:
MFCD18086682
IUPAC Name:
3-(3-cyanophenyl)-5-hydroxybenzoic acid
InChI:
InChI=1S/C14H9NO3/c15-8-9-2-1-3-10(4-9)11-5-12(14(17)18)7-13(16)6-11/h1-7,16H,(H,17,18)
InChI Key:
QYZVOMJDXIGJQH-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1cc(O)cc(c1)C(=O)O
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.058g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.23g/mol
Monoisotopic Mass:
239.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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