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128389-83-3 | 4H-Azirino[1,2-a]-1,3-dioxolo[4,5-c]pyrrole (9CI)
CAS No: 128389-83-3 Catalog No: AG000Y16 MDL No:MFCD28956909
Product Description
Catalog Number:
AG000Y16
Chemical Name:
4H-Azirino[1,2-a]-1,3-dioxolo[4,5-c]pyrrole (9CI)
CAS Number:
128389-83-3
Molecular Formula:
C6H5NO2
Molecular Weight:
123.1094
MDL Number:
MFCD28956909
IUPAC Name:
7,9-dioxa-4-azatricyclo[4.3.0.02,4]nona-1,5-diene
InChI:
InChI=1S/C6H5NO2/c1-4-6-5(2-7(1)4)8-3-9-6/h2H,1,3H2
InChI Key:
VMOCTANPBLMYFR-UHFFFAOYSA-N
SMILES:
C1Oc2c(O1)c1n(c2)C1
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.032g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
123.111g/mol
Monoisotopic Mass:
123.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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