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753021-64-6 | Azeto[1,2-a]isoxazolo[3,4-d]azepine(9CI)
CAS No: 753021-64-6 Catalog No: AG008QJA MDL No:
Product Description
Catalog Number:
AG008QJA
Chemical Name:
Azeto[1,2-a]isoxazolo[3,4-d]azepine(9CI)
CAS Number:
753021-64-6
Molecular Formula:
C9H6N2O
Molecular Weight:
158.1567
IUPAC Name:
11-oxa-6,12-diazatricyclo[7.3.0.03,6]dodeca-1(12),2,4,7,9-pentaene
InChI:
InChI=1S/C9H6N2O/c1-3-11-4-2-8(11)5-9-7(1)6-12-10-9/h1-6H
InChI Key:
XXGRSEHUTRUYII-UHFFFAOYSA-N
SMILES:
o1cc2c(n1)cc1n(cc2)cc1
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.16g/mol
Monoisotopic Mass:
158.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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