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14578-67-7 | Benzenebutanoic acid, γ-phenyl-
CAS No: 14578-67-7 Catalog No: AG001DEU MDL No:
Product Description
Catalog Number:
AG001DEU
Chemical Name:
Benzenebutanoic acid, γ-phenyl-
CAS Number:
14578-67-7
Molecular Formula:
C16H16O2
Molecular Weight:
240.2970
IUPAC Name:
4,4-diphenylbutanoic acid
InChI:
InChI=1S/C16H16O2/c17-16(18)12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,17,18)
InChI Key:
FLSBZXWDASEHJU-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(c1ccccc1)c1ccccc1
NSC Number:
120412
Properties
Complexity:
232
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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