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68776-59-0 | 5-cyanoisoxazole
CAS No: 68776-59-0 Catalog No: AG00FFC5 MDL No:MFCD18909311
Product Description
Catalog Number:
AG00FFC5
Chemical Name:
5-cyanoisoxazole
CAS Number:
68776-59-0
Molecular Formula:
C4H2N2O
Molecular Weight:
94.0715
MDL Number:
MFCD18909311
IUPAC Name:
1,2-oxazole-5-carbonitrile
InChI:
InChI=1S/C4H2N2O/c5-3-4-1-2-6-7-4/h1-2H
InChI Key:
MCCCJBNRMFLROD-UHFFFAOYSA-N
SMILES:
c1cnoc1C#N
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
94.017g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
94.073g/mol
Monoisotopic Mass:
94.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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