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117972-82-4 | 2,1-Benzisoxazolium, 3-ethyl-1,3-dihydro-1-oxo-
CAS No: 117972-82-4 Catalog No: AG00774G MDL No:
Product Description
Catalog Number:
AG00774G
Chemical Name:
2,1-Benzisoxazolium, 3-ethyl-1,3-dihydro-1-oxo-
CAS Number:
117972-82-4
Molecular Formula:
C9H10NO2+
Molecular Weight:
164.1812
IUPAC Name:
3-ethyl-3H-2,1-benzoxazol-1-ium 1-oxide
InChI:
InChI=1S/C9H10NO2/c1-2-9-7-5-3-4-6-8(7)10(11)12-9/h3-6,9H,2H2,1H3/q+1
InChI Key:
KMRPGEVRPACELG-UHFFFAOYSA-N
SMILES:
CCC1O[N+](=O)c2c1cccc2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.071g/mol
Formal Charge:
1
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.184g/mol
Monoisotopic Mass:
164.071g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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