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Home > Other Heterocycles > 67911-21-1
67911-21-1 | 6,6-Dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione
CAS No: 67911-21-1 Catalog No: AG003OPS MDL No:MFCD09751198
Product Description
Catalog Number:
AG003OPS
Chemical Name:
6,6-Dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione
CAS Number:
67911-21-1
Molecular Formula:
C7H8O3
Molecular Weight:
140.1366
MDL Number:
MFCD09751198
IUPAC Name:
6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione
InChI:
InChI=1S/C7H8O3/c1-7(2)3-4(7)6(9)10-5(3)8/h3-4H,1-2H3
InChI Key:
QKAHKEDLPBJLFD-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C2C1C2(C)C
EC Number:
614-164-1
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.047g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.138g/mol
Monoisotopic Mass:
140.047g/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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