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Home > Other Heterocycles > 82442-72-6
82442-72-6 | 3-Oxabicyclo[3.1.0]hexan-2-one, 6,6-dimethyl-, (1S,5R)-
CAS No: 82442-72-6 Catalog No: AG004W04 MDL No:
Product Description
Catalog Number:
AG004W04
Chemical Name:
3-Oxabicyclo[3.1.0]hexan-2-one, 6,6-dimethyl-, (1S,5R)-
CAS Number:
82442-72-6
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
IUPAC Name:
(1S,5R)-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one
InChI:
InChI=1S/C7H10O2/c1-7(2)4-3-9-6(8)5(4)7/h4-5H,3H2,1-2H3/t4-,5-/m1/s1
InChI Key:
CTLLMXVSHAUPFO-RFZPGFLSSA-N
SMILES:
O=C1OC[C@@H]2[C@H]1C2(C)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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