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178313-44-5 | [1,1'-Biphenyl]-4-carboxylic acid, 4'-acetyl-2'-methyl-
CAS No: 178313-44-5 Catalog No: AG0025X1 MDL No:
Product Description
Catalog Number:
AG0025X1
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 4'-acetyl-2'-methyl-
CAS Number:
178313-44-5
Molecular Formula:
C16H14O3
Molecular Weight:
254.2806
IUPAC Name:
4-(4-acetyl-2-methylphenyl)benzoic acid
InChI:
InChI=1S/C16H14O3/c1-10-9-14(11(2)17)7-8-15(10)12-3-5-13(6-4-12)16(18)19/h3-9H,1-2H3,(H,18,19)
InChI Key:
JORBZRSUCASUMA-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1c1ccc(cc1)C(=O)O)C(=O)C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.094g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.285g/mol
Monoisotopic Mass:
254.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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