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13278-12-1 | Cyclohexaneacetic acid, 4-(1,1-dimethylethyl)-1-hydroxy-, 1,1-dimethylethyl ester
CAS No: 13278-12-1 Catalog No: AG001164 MDL No:
Product Description
Catalog Number:
AG001164
Chemical Name:
Cyclohexaneacetic acid, 4-(1,1-dimethylethyl)-1-hydroxy-, 1,1-dimethylethyl ester
CAS Number:
13278-12-1
Molecular Formula:
C16H30O3
Molecular Weight:
270.4076
IUPAC Name:
tert-butyl 2-(4-tert-butyl-1-hydroxycyclohexyl)acetate
InChI:
InChI=1S/C16H30O3/c1-14(2,3)12-7-9-16(18,10-8-12)11-13(17)19-15(4,5)6/h12,18H,7-11H2,1-6H3
InChI Key:
QAOSMVQWHOXGSA-UHFFFAOYSA-N
SMILES:
O=C(CC1(O)CCC(CC1)C(C)(C)C)OC(C)(C)C
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.219g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.413g/mol
Monoisotopic Mass:
270.219g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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