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122294-09-1 | [1,1'-Biphenyl]-4-carboxylic acid, 3',4'-dimethyl-
CAS No: 122294-09-1 Catalog No: AG00171U MDL No:MFCD04117429
Product Description
Catalog Number:
AG00171U
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3',4'-dimethyl-
CAS Number:
122294-09-1
Molecular Formula:
C15H14O2
Molecular Weight:
226.2705
MDL Number:
MFCD04117429
IUPAC Name:
4-(3,4-dimethylphenyl)benzoic acid
InChI:
InChI=1S/C15H14O2/c1-10-3-4-14(9-11(10)2)12-5-7-13(8-6-12)15(16)17/h3-9H,1-2H3,(H,16,17)
InChI Key:
GFGYCDJAIZGZTK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1ccc(c(c1)C)C
Properties
Complexity:
266
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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