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147404-69-1 | [1,1'-Biphenyl]-3-carboxylic acid, 4'-methyl-
CAS No: 147404-69-1 Catalog No: AG001EVR MDL No:MFCD00452725
Product Description
Catalog Number:
AG001EVR
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 4'-methyl-
CAS Number:
147404-69-1
Molecular Formula:
C14H12O2
Molecular Weight:
212.2439
MDL Number:
MFCD00452725
IUPAC Name:
3-(4-methylphenyl)benzoic acid
InChI:
InChI=1S/C14H12O2/c1-10-5-7-11(8-6-10)12-3-2-4-13(9-12)14(15)16/h2-9H,1H3,(H,15,16)
InChI Key:
APYJGQZXCGXMGB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1cccc(c1)C(=O)O
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.248g/mol
Monoisotopic Mass:
212.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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