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Home > Other Heterocycles > 28664-08-6
28664-08-6 | Bicyclo[3.1.1]heptan-2-ol, 6,6-dimethyl-
CAS No: 28664-08-6 Catalog No: AG002W0F MDL No:
Product Description
Catalog Number:
AG002W0F
Chemical Name:
Bicyclo[3.1.1]heptan-2-ol, 6,6-dimethyl-
CAS Number:
28664-08-6
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
IUPAC Name:
6,6-dimethylbicyclo[3.1.1]heptan-2-ol
InChI:
InChI=1S/C9H16O/c1-9(2)6-3-4-8(10)7(9)5-6/h6-8,10H,3-5H2,1-2H3
InChI Key:
DEDZBEBBIUTZAJ-UHFFFAOYSA-N
SMILES:
OC1CCC2CC1C2(C)C
EC Number:
249-135-9
NSC Number:
251000
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.12g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.226g/mol
Monoisotopic Mass:
140.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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