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Home > Other Heterocycles > 2005-76-7
2005-76-7 | Bicyclo[3.1.1]heptane-2-methanol, 2-hydroxy-6,6-dimethyl-
CAS No: 2005-76-7 Catalog No: AG002CTL MDL No:
Product Description
Catalog Number:
AG002CTL
Chemical Name:
Bicyclo[3.1.1]heptane-2-methanol, 2-hydroxy-6,6-dimethyl-
CAS Number:
2005-76-7
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
IUPAC Name:
2-(hydroxymethyl)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol
InChI:
InChI=1S/C10H18O2/c1-9(2)7-3-4-10(12,6-11)8(9)5-7/h7-8,11-12H,3-6H2,1-2H3
InChI Key:
VXXAKGMRLUXFQH-UHFFFAOYSA-N
SMILES:
OCC1(O)CCC2CC1C2(C)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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