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1008-50-0 | 1,2-Benzisoxazole-3-carboxamide, 4,5,6,7-tetrahydro-
CAS No: 1008-50-0 Catalog No: AG0002WJ MDL No:MFCD16885703
Product Description
Catalog Number:
AG0002WJ
Chemical Name:
1,2-Benzisoxazole-3-carboxamide, 4,5,6,7-tetrahydro-
CAS Number:
1008-50-0
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD16885703
IUPAC Name:
4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
InChI:
InChI=1S/C8H10N2O2/c9-8(11)7-5-3-1-2-4-6(5)12-10-7/h1-4H2,(H2,9,11)
InChI Key:
VJCUMKTYSGYTGO-UHFFFAOYSA-N
SMILES:
NC(=O)c1noc2c1CCCC2
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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