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89212-63-5 | 2H-Cyclopent[d]isoxazolo[5,4-b]pyridine(9CI)
CAS No: 89212-63-5 Catalog No: AG0088RZ MDL No:
Product Description
Catalog Number:
AG0088RZ
Chemical Name:
2H-Cyclopent[d]isoxazolo[5,4-b]pyridine(9CI)
CAS Number:
89212-63-5
Molecular Formula:
C9H6N2O
Molecular Weight:
158.1567
IUPAC Name:
5-oxa-4,7-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,6,8,10-pentaene
InChI:
InChI=1S/C9H6N2O/c1-2-6-4-10-9-8(5-11-12-9)7(6)3-1/h1-5,11H
InChI Key:
VOXOBRHBYOYJFC-UHFFFAOYSA-N
SMILES:
c1cc2c(c1)c1c[nH]oc1nc2
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.16g/mol
Monoisotopic Mass:
158.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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