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158619-46-6 | [1,1'-Biphenyl]-3-carboxylic acid, 3'-methyl-
CAS No: 158619-46-6 Catalog No: AG001QCU MDL No:MFCD00558892
Product Description
Catalog Number:
AG001QCU
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 3'-methyl-
CAS Number:
158619-46-6
Molecular Formula:
C14H12O2
Molecular Weight:
212.2439
MDL Number:
MFCD00558892
IUPAC Name:
3-(3-methylphenyl)benzoic acid
InChI:
InChI=1S/C14H12O2/c1-10-4-2-5-11(8-10)12-6-3-7-13(9-12)14(15)16/h2-9H,1H3,(H,15,16)
InChI Key:
BJVLFJADOVATRU-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1cccc(c1)C(=O)O
Properties
Complexity:
249
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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