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753021-63-5 | 3H-Azeto[1,2-a]isoxazolo[3,4-d]pyridine(9CI)
CAS No: 753021-63-5 Catalog No: AG005CL6 MDL No:
Product Description
Catalog Number:
AG005CL6
Chemical Name:
3H-Azeto[1,2-a]isoxazolo[3,4-d]pyridine(9CI)
CAS Number:
753021-63-5
Molecular Formula:
C8H6N2O
Molecular Weight:
146.1460
IUPAC Name:
10-oxa-3,9-diazatricyclo[6.3.0.03,6]undeca-1,4,6,8-tetraene
InChI:
InChI=1S/C8H6N2O/c1-2-10-4-6-5-11-9-8(6)3-7(1)10/h1-4H,5H2
InChI Key:
AHAMOVXVPFIQFC-UHFFFAOYSA-N
SMILES:
O1N=c2c(C1)cn1c(c2)C=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:
3
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:
0.4
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