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75632-99-4 | 1,2-Benzisoxazole, 3-methyl-, 2-oxide
CAS No: 75632-99-4 Catalog No: AG005ANR MDL No:
Product Description
Catalog Number:
AG005ANR
Chemical Name:
1,2-Benzisoxazole, 3-methyl-, 2-oxide
CAS Number:
75632-99-4
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
IUPAC Name:
3-methyl-2-oxido-1,2-benzoxazol-2-ium
InChI:
InChI=1S/C8H7NO2/c1-6-7-4-2-3-5-8(7)11-9(6)10/h2-5H,1H3
InChI Key:
KLBLYOISTLKEOY-UHFFFAOYSA-N
SMILES:
[O-][n+]1oc2c(c1C)cccc2
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.149g/mol
Monoisotopic Mass:
149.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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