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31499-90-8 | 2,1-Benzisoxazol-3(1H)-one
CAS No: 31499-90-8 Catalog No: AG00CP76 MDL No:
Product Description
Catalog Number:
AG00CP76
Chemical Name:
2,1-Benzisoxazol-3(1H)-one
CAS Number:
31499-90-8
IUPAC Name:
1H-2,1-benzoxazol-3-one
InChI:
InChI=1S/C7H5NO2/c9-7-5-3-1-2-4-6(5)8-10-7/h1-4,8H
InChI Key:
FUAXXVSVFLEVSF-UHFFFAOYSA-N
NSC Number:
49239
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.032g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
135.122g/mol
Monoisotopic Mass:
135.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Direct observation of various reaction pathways of arylnitrenes in different crystal environments caused by acid-base complex formation. | Acta crystallographica. Section B, Structural science 20101201 |
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