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85391-32-8 | Bicyclo[3.1.1]heptan-3-ol,2,6,6-trimethyl-, 3-acetate
CAS No: 85391-32-8 Catalog No: AG004KQG MDL No:
Product Description
Catalog Number:
AG004KQG
Chemical Name:
Bicyclo[3.1.1]heptan-3-ol,2,6,6-trimethyl-, 3-acetate
CAS Number:
85391-32-8
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
IUPAC Name:
(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) acetate
InChI:
InChI=1S/C12H20O2/c1-7-10-5-9(12(10,3)4)6-11(7)14-8(2)13/h7,9-11H,5-6H2,1-4H3
InChI Key:
KKZUXVTWZQWUSI-UHFFFAOYSA-N
SMILES:
CC(=O)OC1CC2CC(C1C)C2(C)C
EC Number:
286-786-8
NSC Number:
167913
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.146g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.29g/mol
Monoisotopic Mass:
196.146g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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