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88278-96-0 | Ethanone, 2-(1-methoxy-3-methylcyclohexyl)-1-phenyl-
CAS No: 88278-96-0 Catalog No: AG0049KZ MDL No:
Product Description
Catalog Number:
AG0049KZ
Chemical Name:
Ethanone, 2-(1-methoxy-3-methylcyclohexyl)-1-phenyl-
CAS Number:
88278-96-0
Molecular Formula:
C16H22O2
Molecular Weight:
246.3447
IUPAC Name:
2-(1-methoxy-3-methylcyclohexyl)-1-phenylethanone
InChI:
InChI=1S/C16H22O2/c1-13-7-6-10-16(11-13,18-2)12-15(17)14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-12H2,1-2H3
InChI Key:
VUAPZMHLXFNLQU-UHFFFAOYSA-N
SMILES:
COC1(CCCC(C1)C)CC(=O)c1ccccc1
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.162g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.35g/mol
Monoisotopic Mass:
246.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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