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132542-11-1 | 4,8-Epoxy-4H-1,3-dioxolo[4,5-d]azepine (9CI)
CAS No: 132542-11-1 Catalog No: AG0010TI MDL No:
Product Description
Catalog Number:
AG0010TI
Chemical Name:
4,8-Epoxy-4H-1,3-dioxolo[4,5-d]azepine (9CI)
CAS Number:
132542-11-1
Molecular Formula:
C7H5NO3
Molecular Weight:
151.1195
IUPAC Name:
3,5,11-trioxa-9-azatricyclo[5.3.1.02,6]undeca-1(10),2(6),8-triene
InChI:
InChI=1S/C7H5NO3/c1-4-6-7(10-3-9-6)5(11-4)2-8-1/h1-2,4H,3H2
InChI Key:
OHYXMDOCLFWINB-UHFFFAOYSA-N
SMILES:
N1=CC2OC(=C1)C1=C2OCO1
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:
-0.5
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