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41230-54-0 | Isoxazolo[4,5-b]pyrazine,3-methyl-, 7-oxide
CAS No: 41230-54-0 Catalog No: AG0072UA MDL No:
Product Description
Catalog Number:
AG0072UA
Chemical Name:
Isoxazolo[4,5-b]pyrazine,3-methyl-, 7-oxide
CAS Number:
41230-54-0
Molecular Formula:
C6H5N3O2
Molecular Weight:
151.1228
IUPAC Name:
3-methyl-7-oxido-[1,2]oxazolo[4,5-b]pyrazin-7-ium
InChI:
InChI=1S/C6H5N3O2/c1-4-5-6(11-8-4)9(10)3-2-7-5/h2-3H,1H3
InChI Key:
IEIGSNPAGCFTOS-UHFFFAOYSA-N
SMILES:
[O-][n+]1ccnc2c1onc2C
NSC Number:
162703
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.038g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.125g/mol
Monoisotopic Mass:
151.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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