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1154-92-3 | Benzeneacetic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester
CAS No: 1154-92-3 Catalog No: AG000FYE MDL No:
Product Description
Catalog Number:
AG000FYE
Chemical Name:
Benzeneacetic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester
CAS Number:
1154-92-3
Molecular Formula:
C18H26O2
Molecular Weight:
274.3978
IUPAC Name:
(5-methyl-2-propan-2-ylcyclohexyl) 2-phenylacetate
InChI:
InChI=1S/C18H26O2/c1-13(2)16-10-9-14(3)11-17(16)20-18(19)12-15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3
InChI Key:
GIFKSWTZIAVRIG-UHFFFAOYSA-N
SMILES:
CC1CCC(C(C1)OC(=O)Cc1ccccc1)C(C)C
EC Number:
214-579-4
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.193g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.404g/mol
Monoisotopic Mass:
274.193g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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