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Home > Other Heterocycles > 76946-39-9
76946-39-9 | 3-Oxabicyclo[4.2.0]octane-4,8-dione, 2,2,6-trimethyl-
CAS No: 76946-39-9 Catalog No: AG005RRS MDL No:
Product Description
Catalog Number:
AG005RRS
Chemical Name:
3-Oxabicyclo[4.2.0]octane-4,8-dione, 2,2,6-trimethyl-
CAS Number:
76946-39-9
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
2,2,6-trimethyl-3-oxabicyclo[4.2.0]octane-4,8-dione
InChI:
InChI=1S/C10H14O3/c1-9(2)8-6(11)4-10(8,3)5-7(12)13-9/h8H,4-5H2,1-3H3
InChI Key:
JQAPKMLXUTUMEB-UHFFFAOYSA-N
SMILES:
O=C1CC2(C)CC(=O)C2C(O1)(C)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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