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Home > Other Heterocycles > 35502-46-6
35502-46-6 | 7-Oxabicyclo[4.1.0]heptan-2-one, 1,6-dimethyl-
CAS No: 35502-46-6 Catalog No: AG007AVH MDL No:
Product Description
Catalog Number:
AG007AVH
Chemical Name:
7-Oxabicyclo[4.1.0]heptan-2-one, 1,6-dimethyl-
CAS Number:
35502-46-6
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
1,6-dimethyl-7-oxabicyclo[4.1.0]heptan-2-one
InChI:
InChI=1S/C8H12O2/c1-7-5-3-4-6(9)8(7,2)10-7/h3-5H2,1-2H3
InChI Key:
YOINCJZWDCOINW-UHFFFAOYSA-N
SMILES:
O=C1CCCC2(C1(C)O2)C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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