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Home > Other Heterocycles > 208344-94-9
208344-94-9 | 3-Oxabicyclo[3.1.0]hexan-2-one, 6-methyl-, (1R,5S,6R)-
CAS No: 208344-94-9 Catalog No: AG002JMS MDL No:
Product Description
Catalog Number:
AG002JMS
Chemical Name:
3-Oxabicyclo[3.1.0]hexan-2-one, 6-methyl-, (1R,5S,6R)-
CAS Number:
208344-94-9
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
IUPAC Name:
(1R,5S,6R)-6-methyl-3-oxabicyclo[3.1.0]hexan-2-one
InChI:
InChI=1S/C6H8O2/c1-3-4-2-8-6(7)5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m1/s1
InChI Key:
ODZSNSOKRZBPDY-MROZADKFSA-N
SMILES:
O=C1OC[C@@H]2[C@H]1[C@@H]2C
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
112.052g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.128g/mol
Monoisotopic Mass:
112.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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