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89261-52-9 | Cyclohexaneacetic acid, 2-(3,5-dimethoxyphenyl)-, ethyl ester, cis-
CAS No: 89261-52-9 Catalog No: AG0041YM MDL No:
Product Description
Catalog Number:
AG0041YM
Chemical Name:
Cyclohexaneacetic acid, 2-(3,5-dimethoxyphenyl)-, ethyl ester, cis-
CAS Number:
89261-52-9
Molecular Formula:
C18H26O4
Molecular Weight:
306.3966
IUPAC Name:
ethyl 2-[2-(3,5-dimethoxyphenyl)cyclohexyl]acetate
InChI:
InChI=1S/C18H26O4/c1-4-22-18(19)11-13-7-5-6-8-17(13)14-9-15(20-2)12-16(10-14)21-3/h9-10,12-13,17H,4-8,11H2,1-3H3
InChI Key:
PWVBKBYQVGUQOJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C[C@@H]1CCCC[C@@H]1c1cc(OC)cc(c1)OC
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.183g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.402g/mol
Monoisotopic Mass:
306.183g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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