6,8-Dioxabicyclo[3.2.1]oct-2-en-4-one, (1S,5R)-


Chemical Name: 6,8-Dioxabicyclo[3.2.1]oct-2-en-4-one, (1S,5R)-
CAS Number: 37112-31-5
Product Number: AG00BXC8(AGN-PC-0O9ET1)
Synonyms:
MDL No:
Molecular Formula: C6H6O3
Molecular Weight: 126.1100

Identification/Properties


Computed Properties
Molecular Weight:
126.111g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
126.032g/mol
Monoisotopic Mass:
126.032g/mol
Topological Polar Surface Area:
35.5A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
173
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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