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Home > Other Heterocycles > 286-22-6
286-22-6 | 3,7-Dioxabicyclo[4.1.0]heptane
CAS No: 286-22-6 Catalog No: AG002VTX MDL No:MFCD11226853
Product Description
Catalog Number:
AG002VTX
Chemical Name:
3,7-Dioxabicyclo[4.1.0]heptane
CAS Number:
286-22-6
Molecular Formula:
C5H8O2
Molecular Weight:
100.1158
MDL Number:
MFCD11226853
IUPAC Name:
3,7-dioxabicyclo[4.1.0]heptane
InChI:
InChI=1S/C5H8O2/c1-2-6-3-5-4(1)7-5/h4-5H,1-3H2
InChI Key:
XGDSKVZBNGTARC-UHFFFAOYSA-N
SMILES:
O1CCC2C(C1)O2
Properties
Complexity:
82.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.052g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
100.117g/mol
Monoisotopic Mass:
100.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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