Home Other Building Blocks Benzenebutanoic acid, b-phenyl-

Benzenebutanoic acid, b-phenyl-

CAS No.:
4374-49-6
Catalog Number:
AG019RYS
Molecular Formula:
C16H16O2
Molecular Weight:
240.2970
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Product Description
Catalog Number:
AG019RYS
Chemical Name:
Benzenebutanoic acid, b-phenyl-
CAS Number:
4374-49-6
Molecular Formula:
C16H16O2
Molecular Weight:
240.2970
MDL Number:
MFCD00094401
IUPAC Name:
3,4-diphenylbutanoic acid
InChI:
InChI=1S/C16H16O2/c17-16(18)12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,17,18)
InChI Key:
JOBZTAYSABJDKN-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccccc1)Cc1ccccc1
Properties
Complexity:
250  
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:
5  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties