Home Other Building Blocks [1,1'-Biphenyl]-4-propanoic acid, .alpha.-oxo-

[1,1'-Biphenyl]-4-propanoic acid, .alpha.-oxo-

CAS No.:
91853-46-2
Catalog Number:
AG00H2O4
Molecular Formula:
C15H12O3
Molecular Weight:
240.2540
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Product Description
Catalog Number:
AG00H2O4
Chemical Name:
[1,1'-Biphenyl]-4-propanoic acid, .alpha.-oxo-
CAS Number:
91853-46-2
Molecular Formula:
C15H12O3
Molecular Weight:
240.2540
MDL Number:
MFCD09737957
IUPAC Name:
2-oxo-3-(4-phenylphenyl)propanoic acid
InChI:
InChI=1S/C15H12O3/c16-14(15(17)18)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,17,18)
InChI Key:
YLSFJNHIOYAOHZ-UHFFFAOYSA-N
SMILES:
O=C(C(=O)O)Cc1ccc(cc1)c1ccccc1
Properties
Complexity:
297  
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:
4  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties