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68776-61-4 | OXAZOLE-5-CARBONITRILE
CAS No: 68776-61-4 Catalog No: AG00FDZE MDL No:MFCD04114936
Product Description
Catalog Number:
AG00FDZE
Chemical Name:
OXAZOLE-5-CARBONITRILE
CAS Number:
68776-61-4
Molecular Formula:
C4H2N2O
Molecular Weight:
94.0715
MDL Number:
MFCD04114936
IUPAC Name:
1,3-oxazole-5-carbonitrile
InChI:
InChI=1S/C4H2N2O/c5-1-4-2-6-3-7-4/h2-3H
InChI Key:
BSNIXNVMYNRRMG-UHFFFAOYSA-N
SMILES:
c1ncoc1C#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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