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Home > Other Heterocycles > 286-13-5
286-13-5 | 3,4-Dioxabicyclo[4.1.0]heptane (8CI,9CI)
CAS No: 286-13-5 Catalog No: AG002VU1 MDL No:
Product Description
Catalog Number:
AG002VU1
Chemical Name:
3,4-Dioxabicyclo[4.1.0]heptane (8CI,9CI)
CAS Number:
286-13-5
Molecular Formula:
C5H8O2
Molecular Weight:
100.1158
IUPAC Name:
3,4-dioxabicyclo[4.1.0]heptane
InChI:
InChI=1S/C5H8O2/c1-4-2-6-7-3-5(1)4/h4-5H,1-3H2
InChI Key:
BTXPBMRQKFDZEP-UHFFFAOYSA-N
SMILES:
O1OCC2C(C1)C2
Properties
Complexity:
72.1
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:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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