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143679-08-7 | Bicyclo[3.1.1]hept-2-ene-6-methanol, 2,6-dimethyl-, 6-acetate
CAS No: 143679-08-7 Catalog No: AG001I5K MDL No:
Product Description
Catalog Number:
AG001I5K
Chemical Name:
Bicyclo[3.1.1]hept-2-ene-6-methanol, 2,6-dimethyl-, 6-acetate
CAS Number:
143679-08-7
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
acetic acid;(2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl)methanol
InChI:
InChI=1S/C10H16O.C2H4O2/c1-7-3-4-8-5-9(7)10(8,2)6-11;1-2(3)4/h3,8-9,11H,4-6H2,1-2H3;1H3,(H,3,4)
InChI Key:
LEDQEHVZYDNYPK-UHFFFAOYSA-N
SMILES:
CC(=O)OCC1(C)C2CC=C(C1C2)C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.141g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.289g/mol
Monoisotopic Mass:
212.141g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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