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158144-54-8 | [1,1'-Biphenyl]-2-carboxylic acid, 4'-(hydroxymethyl)-
CAS No: 158144-54-8 Catalog No: AG001PZV MDL No:
Product Description
Catalog Number:
AG001PZV
Chemical Name:
[1,1'-Biphenyl]-2-carboxylic acid, 4'-(hydroxymethyl)-
CAS Number:
158144-54-8
Molecular Formula:
C14H12O3
Molecular Weight:
228.2433
IUPAC Name:
2-[4-(hydroxymethyl)phenyl]benzoic acid
InChI:
InChI=1S/C14H12O3/c15-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)14(16)17/h1-8,15H,9H2,(H,16,17)
InChI Key:
KAARHTQCNDPYDY-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)c1ccccc1C(=O)O
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.247g/mol
Monoisotopic Mass:
228.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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