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157628-05-2 | 4,7-Epoxy-4H-1,3-dioxolo[4,5-c]azepine (9CI)
CAS No: 157628-05-2 Catalog No: AG001PK8 MDL No:
Product Description
Catalog Number:
AG001PK8
Chemical Name:
4,7-Epoxy-4H-1,3-dioxolo[4,5-c]azepine (9CI)
CAS Number:
157628-05-2
Molecular Formula:
C7H5NO3
Molecular Weight:
151.1195
IUPAC Name:
3,5,11-trioxa-10-azatricyclo[6.2.1.02,6]undeca-2(6),7,9-triene
InChI:
InChI=1S/C7H5NO3/c1-4-2-8-7(11-4)6-5(1)9-3-10-6/h1-2,7H,3H2
InChI Key:
RWXCDANMSMIVFJ-UHFFFAOYSA-N
SMILES:
C1OC2=C(O1)C1N=CC(=C2)O1
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.121g/mol
Monoisotopic Mass:
151.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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