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753021-62-4 | 1H-Azeto[1,2-a]isoxazolo[3,4-c]pyridine(9CI)
CAS No: 753021-62-4 Catalog No: AG005YH7 MDL No:
Product Description
Catalog Number:
AG005YH7
Chemical Name:
1H-Azeto[1,2-a]isoxazolo[3,4-c]pyridine(9CI)
CAS Number:
753021-62-4
Molecular Formula:
C8H6N2O
Molecular Weight:
146.1460
IUPAC Name:
10-oxa-5,11-diazatricyclo[6.3.0.02,5]undeca-1,3,6,8-tetraene
InChI:
InChI=1S/C8H6N2O/c1-3-10-4-2-7(10)8-6(1)5-11-9-8/h1-5,9H
InChI Key:
IUUMJDNTTGADQX-UHFFFAOYSA-N
SMILES:
o1cc2c([nH]1)c1ccn1cc2
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:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.149g/mol
Monoisotopic Mass:
146.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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