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Home > Other Heterocycles > 111613-34-4
111613-34-4 | 7-Oxabicyclo[2.2.1]heptan-2-one, 1-methyl-4-(1-methylethyl)-, (1R)-
CAS No: 111613-34-4 Catalog No: AG007ACY MDL No:
Product Description
Catalog Number:
AG007ACY
Chemical Name:
7-Oxabicyclo[2.2.1]heptan-2-one, 1-methyl-4-(1-methylethyl)-, (1R)-
CAS Number:
111613-34-4
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C10H16O2/c1-7(2)10-5-4-9(3,12-10)8(11)6-10/h7H,4-6H2,1-3H3
InChI Key:
GCTISMWUJLRZKU-UHFFFAOYSA-N
SMILES:
CC(C12CC[C@@](O2)(C(=O)C1)C)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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