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23008-68-6 | 1,2-Benzisoxazole-3-acetamide
CAS No: 23008-68-6 Catalog No: AG002LU2 MDL No:MFCD11643539
Product Description
Catalog Number:
AG002LU2
Chemical Name:
1,2-Benzisoxazole-3-acetamide
CAS Number:
23008-68-6
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD11643539
IUPAC Name:
2-(1,2-benzoxazol-3-yl)acetamide
InChI:
InChI=1S/C9H8N2O2/c10-9(12)5-7-6-3-1-2-4-8(6)13-11-7/h1-4H,5H2,(H2,10,12)
InChI Key:
WAOWHBKLGGZHMR-UHFFFAOYSA-N
SMILES:
NC(=O)Cc1noc2c1cccc2
NSC Number:
285671
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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