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84466-72-8 | Ethanone, 2-(benzoyloxy)-2-(1-hydroxycyclohexyl)-1-phenyl-
CAS No: 84466-72-8 Catalog No: AG00550P MDL No:
Product Description
Catalog Number:
AG00550P
Chemical Name:
Ethanone, 2-(benzoyloxy)-2-(1-hydroxycyclohexyl)-1-phenyl-
CAS Number:
84466-72-8
Molecular Formula:
C21H22O4
Molecular Weight:
338.3970
IUPAC Name:
[1-(1-hydroxycyclohexyl)-2-oxo-2-phenylethyl] benzoate
InChI:
InChI=1S/C21H22O4/c22-18(16-10-4-1-5-11-16)19(21(24)14-8-3-9-15-21)25-20(23)17-12-6-2-7-13-17/h1-2,4-7,10-13,19,24H,3,8-9,14-15H2
InChI Key:
ALLNFOALTIDGMF-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)OC(C1(O)CCCCC1)C(=O)c1ccccc1
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.152g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.403g/mol
Monoisotopic Mass:
338.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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