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90158-76-2 | 2-cyano-N-(5-methylisoxazol-3-yl)acetamide
CAS No: 90158-76-2 Catalog No: AG01CANO MDL No:MFCD02089608
Product Description
Catalog Number:
AG01CANO
Chemical Name:
2-cyano-N-(5-methylisoxazol-3-yl)acetamide
CAS Number:
90158-76-2
Molecular Formula:
C7H7N3O2
Molecular Weight:
165.1494
MDL Number:
MFCD02089608
IUPAC Name:
2-cyano-N-(5-methyl-1,2-oxazol-3-yl)acetamide
InChI:
InChI=1S/C7H7N3O2/c1-5-4-6(10-12-5)9-7(11)2-3-8/h4H,2H2,1H3,(H,9,10,11)
InChI Key:
DRPLAOWLKSXYTL-UHFFFAOYSA-N
SMILES:
Cc1cc(no1)NC(=O)CC#N
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.054g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.152g/mol
Monoisotopic Mass:
165.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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