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180082-71-7 | [1,1'-Biphenyl]-4-carboxylic acid, 4'-(acetylamino)-2'-methyl-
CAS No: 180082-71-7 Catalog No: AG0021OD MDL No:
Product Description
Catalog Number:
AG0021OD
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 4'-(acetylamino)-2'-methyl-
CAS Number:
180082-71-7
Molecular Formula:
C16H15NO3
Molecular Weight:
269.2952
IUPAC Name:
4-(4-acetamido-2-methylphenyl)benzoic acid
InChI:
InChI=1S/C16H15NO3/c1-10-9-14(17-11(2)18)7-8-15(10)12-3-5-13(6-4-12)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChI Key:
UUESSEVXUAREJK-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(c(c1)C)c1ccc(cc1)C(=O)O
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.105g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.3g/mol
Monoisotopic Mass:
269.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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