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173430-89-2 | 2H-Azeto[1,2-a]oxazolo[5,4-e]pyridine (9CI)
CAS No: 173430-89-2 Catalog No: AG001YWS MDL No:
Product Description
Catalog Number:
AG001YWS
Chemical Name:
2H-Azeto[1,2-a]oxazolo[5,4-e]pyridine (9CI)
CAS Number:
173430-89-2
Molecular Formula:
C8H6N2O
Molecular Weight:
146.1460
IUPAC Name:
9-oxa-2,11-diazatricyclo[6.3.0.02,5]undeca-1(11),3,5,7-tetraene
InChI:
InChI=1S/C8H6N2O/c1-2-7-8(9-5-11-7)10-4-3-6(1)10/h1-4H,5H2
InChI Key:
KNFZSOAMWXWCSY-UHFFFAOYSA-N
SMILES:
C1N=c2c(O1)ccc1n2C=C1
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.149g/mol
Monoisotopic Mass:
146.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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