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100703-81-9 | 5-Oxazolecarbonitrile, 2-methyl-
CAS No: 100703-81-9 Catalog No: AG0002P2 MDL No:
Product Description
Catalog Number:
AG0002P2
Chemical Name:
5-Oxazolecarbonitrile, 2-methyl-
CAS Number:
100703-81-9
Molecular Formula:
C5H4N2O
Molecular Weight:
108.0981
IUPAC Name:
2-methyl-1,3-oxazole-5-carbonitrile
InChI:
InChI=1S/C5H4N2O/c1-4-7-3-5(2-6)8-4/h3H,1H3
InChI Key:
BZAXQZSUBXXBPH-UHFFFAOYSA-N
SMILES:
Cc1ncc(o1)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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