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1261971-14-5 | [1,1'-Biphenyl]-4-carboxylic acid, 2,3',5'-trimethyl-
CAS No: 1261971-14-5 Catalog No: AG000SA6 MDL No:MFCD18319361
Product Description
Catalog Number:
AG000SA6
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 2,3',5'-trimethyl-
CAS Number:
1261971-14-5
Molecular Formula:
C16H16O2
Molecular Weight:
240.2970
MDL Number:
MFCD18319361
IUPAC Name:
4-(3,5-dimethylphenyl)-3-methylbenzoic acid
InChI:
InChI=1S/C16H16O2/c1-10-6-11(2)8-14(7-10)15-5-4-13(16(17)18)9-12(15)3/h4-9H,1-3H3,(H,17,18)
InChI Key:
VVOZWOSSANZQEE-UHFFFAOYSA-N
SMILES:
Cc1cc(C)cc(c1)c1ccc(cc1C)C(=O)O
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.302g/mol
Monoisotopic Mass:
240.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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