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113493-77-9 | 1-Propanone, 3-hydroxy-2,2-dimethyl-3-(4-methylphenyl)-1-phenyl-
CAS No: 113493-77-9 Catalog No: AG0008RW MDL No:
Product Description
Catalog Number:
AG0008RW
Chemical Name:
1-Propanone, 3-hydroxy-2,2-dimethyl-3-(4-methylphenyl)-1-phenyl-
CAS Number:
113493-77-9
Molecular Formula:
C18H20O2
Molecular Weight:
268.3502
IUPAC Name:
3-hydroxy-2,2-dimethyl-3-(4-methylphenyl)-1-phenylpropan-1-one
InChI:
InChI=1S/C18H20O2/c1-13-9-11-15(12-10-13)17(20)18(2,3)16(19)14-7-5-4-6-8-14/h4-12,17,20H,1-3H3
InChI Key:
LRCZYBRKFFOCFV-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(C(C(=O)c1ccccc1)(C)C)O
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.146g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.356g/mol
Monoisotopic Mass:
268.146g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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