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Home > Other Heterocycles > 113473-87-3
113473-87-3 | 7-Oxabicyclo[4.1.0]heptan-2-ol, 4,4,6-trimethyl-
CAS No: 113473-87-3 Catalog No: AG0008OP MDL No:
Product Description
Catalog Number:
AG0008OP
Chemical Name:
7-Oxabicyclo[4.1.0]heptan-2-ol, 4,4,6-trimethyl-
CAS Number:
113473-87-3
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-2-ol
InChI:
InChI=1S/C9H16O2/c1-8(2)4-6(10)7-9(3,5-8)11-7/h6-7,10H,4-5H2,1-3H3
InChI Key:
QGHKPPNZUQCACP-UHFFFAOYSA-N
SMILES:
OC1CC(C)(C)CC2(C1O2)C
NSC Number:
319944
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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