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1261942-70-4 | [1,1'-Biphenyl]-4-carboxylic acid, 2,3'-dimethyl-
CAS No: 1261942-70-4 Catalog No: AG000S8C MDL No:MFCD18318929
Product Description
Catalog Number:
AG000S8C
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 2,3'-dimethyl-
CAS Number:
1261942-70-4
Molecular Formula:
C15H14O2
Molecular Weight:
226.2705
MDL Number:
MFCD18318929
IUPAC Name:
3-methyl-4-(3-methylphenyl)benzoic acid
InChI:
InChI=1S/C15H14O2/c1-10-4-3-5-12(8-10)14-7-6-13(15(16)17)9-11(14)2/h3-9H,1-2H3,(H,16,17)
InChI Key:
WOHKBTCOGNYIAZ-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1ccc(cc1C)C(=O)O
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.099g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.275g/mol
Monoisotopic Mass:
226.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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