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13278-11-0 | Cyclohexaneacetic acid, 1-hydroxy-3,3,5-trimethyl-, 1,1-dimethylethyl ester
CAS No: 13278-11-0 Catalog No: AG001165 MDL No:
Product Description
Catalog Number:
AG001165
Chemical Name:
Cyclohexaneacetic acid, 1-hydroxy-3,3,5-trimethyl-, 1,1-dimethylethyl ester
CAS Number:
13278-11-0
Molecular Formula:
C15H28O3
Molecular Weight:
256.3810
IUPAC Name:
tert-butyl 2-(1-hydroxy-3,3,5-trimethylcyclohexyl)acetate
InChI:
InChI=1S/C15H28O3/c1-11-7-14(5,6)10-15(17,8-11)9-12(16)18-13(2,3)4/h11,17H,7-10H2,1-6H3
InChI Key:
WIVAYTMSEUPIAP-UHFFFAOYSA-N
SMILES:
CC1CC(O)(CC(=O)OC(C)(C)C)CC(C1)(C)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.204g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.386g/mol
Monoisotopic Mass:
256.204g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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