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65735-07-1 | 3-methyl-5-isoxazolecarbonitrile
CAS No: 65735-07-1 Catalog No: AG00FD1I MDL No:MFCD14702909
Product Description
Catalog Number:
AG00FD1I
Chemical Name:
3-methyl-5-isoxazolecarbonitrile
CAS Number:
65735-07-1
Molecular Formula:
C5H4N2O
Molecular Weight:
108.0981
MDL Number:
MFCD14702909
IUPAC Name:
3-methyl-1,2-oxazole-5-carbonitrile
InChI:
InChI=1S/C5H4N2O/c1-4-2-5(3-6)8-7-4/h2H,1H3
InChI Key:
CWGHXEQLWFSUBS-UHFFFAOYSA-N
SMILES:
Cc1cc(on1)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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