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89452-33-5 | Cyclohexanemethanol, 6-ethyl-2,2-dimethyl-, acetate, trans-
CAS No: 89452-33-5 Catalog No: AG0042N5 MDL No:
Product Description
Catalog Number:
AG0042N5
Chemical Name:
Cyclohexanemethanol, 6-ethyl-2,2-dimethyl-, acetate, trans-
CAS Number:
89452-33-5
Molecular Formula:
C13H26O3
Molecular Weight:
230.3437
IUPAC Name:
acetic acid;(6-ethyl-2,2-dimethylcyclohexyl)methanol
InChI:
InChI=1S/C11H22O.C2H4O2/c1-4-9-6-5-7-11(2,3)10(9)8-12;1-2(3)4/h9-10,12H,4-8H2,1-3H3;1H3,(H,3,4)
InChI Key:
FJZOWOBOQAKDAG-UHFFFAOYSA-N
SMILES:
CC(=O)O.CC[C@@H]1CCCC([C@H]1CO)(C)C
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.188g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.348g/mol
Monoisotopic Mass:
230.188g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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