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Home > Other Heterocycles > 6824-18-6
6824-18-6 | 2,3,7-Trioxabicyclo[2.2.1]hept-5-ene
CAS No: 6824-18-6 Catalog No: AG005YJR MDL No:
Product Description
Catalog Number:
AG005YJR
Chemical Name:
2,3,7-Trioxabicyclo[2.2.1]hept-5-ene
CAS Number:
6824-18-6
Molecular Formula:
C4H4O3
Molecular Weight:
100.0728
IUPAC Name:
2,3,7-trioxabicyclo[2.2.1]hept-5-ene
InChI:
InChI=1S/C4H4O3/c1-2-4-5-3(1)6-7-4/h1-4H
InChI Key:
HUNLKXOJSNOFAI-UHFFFAOYSA-N
SMILES:
O1OC2OC1C=C2
Properties
Complexity:
97.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.016g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
100.073g/mol
Monoisotopic Mass:
100.016g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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