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146502-80-9 | Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1R,2R,5S)-
CAS No: 146502-80-9 Catalog No: AG001E2N MDL No:
Product Description
Catalog Number:
AG001E2N
Chemical Name:
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1R,2R,5S)-
CAS Number:
146502-80-9
Molecular Formula:
C12H22O2
Molecular Weight:
198.3019
IUPAC Name:
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] acetate
InChI:
InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12+/m0/s1
InChI Key:
XHXUANMFYXWVNG-MVWJERBFSA-N
SMILES:
C[C@H]1CC[C@@H]([C@@H](C1)OC(=O)C)C(C)C
EC Number:
218-767-7
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
198.162g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.306g/mol
Monoisotopic Mass:
198.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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