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2955-43-3 | Benzenepropanoic acid, α-butyl-α-phenyl-
CAS No: 2955-43-3 Catalog No: AG002YQ5 MDL No:
Product Description
Catalog Number:
AG002YQ5
Chemical Name:
Benzenepropanoic acid, α-butyl-α-phenyl-
CAS Number:
2955-43-3
Molecular Formula:
C19H22O2
Molecular Weight:
282.3768
IUPAC Name:
2-benzyl-2-phenylhexanoic acid
InChI:
InChI=1S/C19H22O2/c1-2-3-14-19(18(20)21,17-12-8-5-9-13-17)15-16-10-6-4-7-11-16/h4-13H,2-3,14-15H2,1H3,(H,20,21)
InChI Key:
AWAOIGUKCPMZAO-UHFFFAOYSA-N
SMILES:
CCCCC(c1ccccc1)(C(=O)O)Cc1ccccc1
NSC Number:
82228
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.162g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.383g/mol
Monoisotopic Mass:
282.162g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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