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52046-80-7 | 1,2-Benzisoxazole-3-carboxamide(9CI)
CAS No: 52046-80-7 Catalog No: AG00DLOV MDL No:
Product Description
Catalog Number:
AG00DLOV
Chemical Name:
1,2-Benzisoxazole-3-carboxamide(9CI)
CAS Number:
52046-80-7
IUPAC Name:
1,2-benzoxazole-3-carboxamide
InChI:
InChI=1S/C8H6N2O2/c9-8(11)7-5-3-1-2-4-6(5)12-10-7/h1-4H,(H2,9,11)
InChI Key:
KORMEWQCUWNSMF-UHFFFAOYSA-N
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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