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57351-99-2 | 5-Methylisoxazole-3-carbonitrile
CAS No: 57351-99-2 Catalog No: AG003MW9 MDL No:MFCD09064940
Product Description
Catalog Number:
AG003MW9
Chemical Name:
5-Methylisoxazole-3-carbonitrile
CAS Number:
57351-99-2
Molecular Formula:
C5H4N2O
Molecular Weight:
108.0981
MDL Number:
MFCD09064940
IUPAC Name:
5-methyl-1,2-oxazole-3-carbonitrile
InChI:
InChI=1S/C5H4N2O/c1-4-2-5(3-6)7-8-4/h2H,1H3
InChI Key:
JTPIMYCMWLOEDD-UHFFFAOYSA-N
SMILES:
Cc1cc(no1)C#N
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.032g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.1g/mol
Monoisotopic Mass:
108.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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