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167627-37-4 | [1,1'-Biphenyl]-3-carboxylic acid, 4'-(phenylmethoxy)-
CAS No: 167627-37-4 Catalog No: AG001XI5 MDL No:MFCD06802254
Product Description
Catalog Number:
AG001XI5
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 4'-(phenylmethoxy)-
CAS Number:
167627-37-4
Molecular Formula:
C20H16O3
Molecular Weight:
304.3392
MDL Number:
MFCD06802254
IUPAC Name:
3-(4-phenylmethoxyphenyl)benzoic acid
InChI:
InChI=1S/C20H16O3/c21-20(22)18-8-4-7-17(13-18)16-9-11-19(12-10-16)23-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,21,22)
InChI Key:
QJCBOVATTIAKOV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1ccc(cc1)OCc1ccccc1
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.11g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.345g/mol
Monoisotopic Mass:
304.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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