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33047-12-0 | 1-Acetyl-2,1-benzisoxazol-3(1H)-one
CAS No: 33047-12-0 Catalog No: AG00CNWZ MDL No:
Product Description
Catalog Number:
AG00CNWZ
Chemical Name:
1-Acetyl-2,1-benzisoxazol-3(1H)-one
CAS Number:
33047-12-0
IUPAC Name:
1-acetyl-2,1-benzoxazol-3-one
InChI:
InChI=1S/C9H7NO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13-10/h2-5H,1H3
InChI Key:
DEAAWZVTNAJQAZ-UHFFFAOYSA-N
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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