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128-51-8 | Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, 2-acetate
CAS No: 128-51-8 Catalog No: AG000XNX MDL No:
Product Description
Catalog Number:
AG000XNX
Chemical Name:
Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, 2-acetate
CAS Number:
128-51-8
Molecular Formula:
C13H20O2
Molecular Weight:
208.2967
IUPAC Name:
2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl acetate
InChI:
InChI=1S/C13H20O2/c1-9(14)15-7-6-10-4-5-11-8-12(10)13(11,2)3/h4,11-12H,5-8H2,1-3H3
InChI Key:
AWNOGHRWORTNEI-UHFFFAOYSA-N
SMILES:
CC(=O)OCCC1=CCC2CC1C2(C)C
EC Number:
204-891-9
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.146g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.301g/mol
Monoisotopic Mass:
208.146g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| QSAR study of mosquito repellents from terpenoid with a six-member-ring. | Bioorganic & medicinal chemistry letters 20080501 |
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