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116360-27-1 | Ethanone, 1-[4-(1,1-dimethylethyl)phenyl]-2-hydroxy-2-phenyl-
CAS No: 116360-27-1 Catalog No: AG000C9Z MDL No:
Product Description
Catalog Number:
AG000C9Z
Chemical Name:
Ethanone, 1-[4-(1,1-dimethylethyl)phenyl]-2-hydroxy-2-phenyl-
CAS Number:
116360-27-1
Molecular Formula:
C18H20O2
Molecular Weight:
268.3502
IUPAC Name:
1-(4-tert-butylphenyl)-2-hydroxy-2-phenylethanone
InChI:
InChI=1S/C18H20O2/c1-18(2,3)15-11-9-14(10-12-15)17(20)16(19)13-7-5-4-6-8-13/h4-12,16,19H,1-3H3
InChI Key:
NJUVQQSTOTUGHH-UHFFFAOYSA-N
SMILES:
OC(C(=O)c1ccc(cc1)C(C)(C)C)c1ccccc1
Properties
Complexity:
315
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:
3.8
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