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Home > Other Heterocycles > 90582-88-0
90582-88-0 | 7-Oxabicyclo[4.1.0]heptan-2-one, 6-methyl-3-(1-methylethenyl)-
CAS No: 90582-88-0 Catalog No: AG006O37 MDL No:
Product Description
Catalog Number:
AG006O37
Chemical Name:
7-Oxabicyclo[4.1.0]heptan-2-one, 6-methyl-3-(1-methylethenyl)-
CAS Number:
90582-88-0
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
IUPAC Name:
6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-one
InChI:
InChI=1S/C10H14O2/c1-6(2)7-4-5-10(3)9(12-10)8(7)11/h7,9H,1,4-5H2,2-3H3
InChI Key:
PGNRDRLKFUESIU-UHFFFAOYSA-N
SMILES:
CC(=C)C1CCC2(C(C1=O)O2)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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