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16880-54-9 | Isoxazolo[5,4-b]pyridin-3(2H)-one
CAS No: 16880-54-9 Catalog No: AG001YBW MDL No:MFCD00661425
Product Description
Catalog Number:
AG001YBW
Chemical Name:
Isoxazolo[5,4-b]pyridin-3(2H)-one
CAS Number:
16880-54-9
Molecular Formula:
C6H4N2O2
Molecular Weight:
136.1082
MDL Number:
MFCD00661425
IUPAC Name:
[1,2]oxazolo[5,4-b]pyridin-3-one
InChI:
InChI=1S/C6H4N2O2/c9-5-4-2-1-3-7-6(4)10-8-5/h1-3H,(H,8,9)
InChI Key:
VHMSVJIBCHFSKU-UHFFFAOYSA-N
SMILES:
O=c1[nH]oc2c1cccn2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.027g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
136.11g/mol
Monoisotopic Mass:
136.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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