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1261971-09-8 | [1,1'-Biphenyl]-3-carboxylic acid, 2,2',4'-trimethyl-
CAS No: 1261971-09-8 Catalog No: AG000SA7 MDL No:MFCD18319338
Product Description
Catalog Number:
AG000SA7
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 2,2',4'-trimethyl-
CAS Number:
1261971-09-8
Molecular Formula:
C16H16O2
Molecular Weight:
240.2970
MDL Number:
MFCD18319338
IUPAC Name:
3-(2,4-dimethylphenyl)-2-methylbenzoic acid
InChI:
InChI=1S/C16H16O2/c1-10-7-8-13(11(2)9-10)14-5-4-6-15(12(14)3)16(17)18/h4-9H,1-3H3,(H,17,18)
InChI Key:
NBESNFBLRRAOJS-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)c1cccc(c1C)C(=O)O
Properties
Complexity:
300
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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