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88166-17-0 | Cyclohexaneethanol, 4-(1,1-dimethylethyl)-, acetate, cis-
CAS No: 88166-17-0 Catalog No: AG004H1P MDL No:
Product Description
Catalog Number:
AG004H1P
Chemical Name:
Cyclohexaneethanol, 4-(1,1-dimethylethyl)-, acetate, cis-
CAS Number:
88166-17-0
Molecular Formula:
C14H28O3
Molecular Weight:
244.3703
IUPAC Name:
acetic acid;2-(4-tert-butylcyclohexyl)ethanol
InChI:
InChI=1S/C12H24O.C2H4O2/c1-12(2,3)11-6-4-10(5-7-11)8-9-13;1-2(3)4/h10-11,13H,4-9H2,1-3H3;1H3,(H,3,4)
InChI Key:
AFSANHFXGKPRBD-UHFFFAOYSA-N
SMILES:
CC(=O)O.OCC[C@@H]1CC[C@@H](CC1)C(C)(C)C
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.204g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.375g/mol
Monoisotopic Mass:
244.204g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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