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89282-09-7 | 2-Methyloxazole-4-carbonitrile
CAS No: 89282-09-7 Catalog No: AG004152 MDL No:MFCD11040623
Product Description
Catalog Number:
AG004152
Chemical Name:
2-Methyloxazole-4-carbonitrile
CAS Number:
89282-09-7
Molecular Formula:
C5H4N2O
Molecular Weight:
108.0981
MDL Number:
MFCD11040623
IUPAC Name:
2-methyl-1,3-oxazole-4-carbonitrile
InChI:
InChI=1S/C5H4N2O/c1-4-7-5(2-6)3-8-4/h3H,1H3
InChI Key:
NVFTYSPOXDAKMQ-UHFFFAOYSA-N
SMILES:
Cc1nc(co1)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:
0.8
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