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170426-67-2 | 1H-Azirino[2',3':3,4]pyrrolo[2,1-b]oxazole(9CI)
CAS No: 170426-67-2 Catalog No: AG0078RJ MDL No:
Product Description
Catalog Number:
AG0078RJ
Chemical Name:
1H-Azirino[2',3':3,4]pyrrolo[2,1-b]oxazole(9CI)
CAS Number:
170426-67-2
Molecular Formula:
C6H4N2O
Molecular Weight:
120.1088
IUPAC Name:
9-oxa-3,6-diazatricyclo[4.3.0.02,4]nona-1,4,7-triene
InChI:
InChI=1S/C6H4N2O/c1-2-9-6-5-4(7-5)3-8(1)6/h1-3,7H
InChI Key:
FLHLYHVEXWJDHB-UHFFFAOYSA-N
SMILES:
c1cn2c(o1)c1c(c2)[nH]1
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.032g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
120.111g/mol
Monoisotopic Mass:
120.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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