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444987-41-1 | 1H,3H-Cyclopent[2,3]azirino[1,2-c]oxazole(9CI)
CAS No: 444987-41-1 Catalog No: AG00DX2X MDL No:
Product Description
Catalog Number:
AG00DX2X
Chemical Name:
1H,3H-Cyclopent[2,3]azirino[1,2-c]oxazole(9CI)
CAS Number:
444987-41-1
IUPAC Name:
3-oxa-5-azatricyclo[4.3.0.01,5]nona-6,8-diene
InChI:
InChI=1S/C7H7NO/c1-2-6-7(3-1)4-9-5-8(6)7/h1-3H,4-5H2
InChI Key:
QXEDYPILASCUNM-UHFFFAOYSA-N
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.053g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
121.139g/mol
Monoisotopic Mass:
121.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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