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71660-03-2 | Cyclohexanol,2-methylene-5-(1-methylethenyl)-, 1-acetate
CAS No: 71660-03-2 Catalog No: AG005G8I MDL No:
Product Description
Catalog Number:
AG005G8I
Chemical Name:
Cyclohexanol,2-methylene-5-(1-methylethenyl)-, 1-acetate
CAS Number:
71660-03-2
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
(2-methylidene-5-prop-1-en-2-ylcyclohexyl) acetate
InChI:
InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h11-12H,1,3,5-7H2,2,4H3
InChI Key:
CCLNPVCMIJDJLR-UHFFFAOYSA-N
SMILES:
CC(=O)OC1CC(CCC1=C)C(=C)C
FEMA Number:
3848
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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