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81427-77-2 | Ethanone, 2,2-bis(cyclohexyloxy)-1-phenyl-
CAS No: 81427-77-2 Catalog No: AG005KKC MDL No:
Product Description
Catalog Number:
AG005KKC
Chemical Name:
Ethanone, 2,2-bis(cyclohexyloxy)-1-phenyl-
CAS Number:
81427-77-2
Molecular Formula:
C20H28O3
Molecular Weight:
316.4345
IUPAC Name:
2,2-dicyclohexyloxy-1-phenylethanone
InChI:
InChI=1S/C20H28O3/c21-19(16-10-4-1-5-11-16)20(22-17-12-6-2-7-13-17)23-18-14-8-3-9-15-18/h1,4-5,10-11,17-18,20H,2-3,6-9,12-15H2
InChI Key:
BODBSLZRVMDUDT-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)C(OC1CCCCC1)OC1CCCCC1
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.204g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.441g/mol
Monoisotopic Mass:
316.204g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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