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Home > Other Heterocycles > 87515-06-8
87515-06-8 | 2,3-Dioxa-5,7-diazabicyclo[2.2.1]hept-5-ene
CAS No: 87515-06-8 Catalog No: AG004FBG MDL No:
Product Description
Catalog Number:
AG004FBG
Chemical Name:
2,3-Dioxa-5,7-diazabicyclo[2.2.1]hept-5-ene
CAS Number:
87515-06-8
Molecular Formula:
C3H4N2O2
Molecular Weight:
100.0761
IUPAC Name:
2,3-dioxa-5,7-diazabicyclo[2.2.1]hept-5-ene
InChI:
InChI=1S/C3H4N2O2/c1-2-5-3(4-1)7-6-2/h1-3,5H
InChI Key:
JBQHMMXNMJTXTE-UHFFFAOYSA-N
SMILES:
O1OC2NC1N=C2
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.027g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
100.077g/mol
Monoisotopic Mass:
100.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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