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199678-04-1 | [1,1'-Biphenyl]-4-carboxylic acid, 3'-acetyl-
CAS No: 199678-04-1 Catalog No: AG002C9N MDL No:MFCD03839959
Product Description
Catalog Number:
AG002C9N
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3'-acetyl-
CAS Number:
199678-04-1
Molecular Formula:
C15H12O3
Molecular Weight:
240.2540
MDL Number:
MFCD03839959
IUPAC Name:
4-(3-acetylphenyl)benzoic acid
InChI:
InChI=1S/C15H12O3/c1-10(16)13-3-2-4-14(9-13)11-5-7-12(8-6-11)15(17)18/h2-9H,1H3,(H,17,18)
InChI Key:
NNPZXRZBAVBTGL-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1cccc(c1)C(=O)C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.258g/mol
Monoisotopic Mass:
240.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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