Home Other Building Blocks 3-AMINOISOXAZOLE-4-CARBONITRILE

3-AMINOISOXAZOLE-4-CARBONITRILE

CAS No.:
258518-65-9
Catalog Number:
AG00BD7H
Molecular Formula:
C4H3N3O
Molecular Weight:
109.0861
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Product Description
Catalog Number:
AG00BD7H
Chemical Name:
3-AMINOISOXAZOLE-4-CARBONITRILE
CAS Number:
258518-65-9
Molecular Formula:
C4H3N3O
Molecular Weight:
109.0861
MDL Number:
MFCD00221024
IUPAC Name:
3-amino-1,2-oxazole-4-carbonitrile
InChI:
InChI=1S/C4H3N3O/c5-1-3-2-8-7-4(3)6/h2H,(H2,6,7)
InChI Key:
LNFYBZNMQYBIIN-UHFFFAOYSA-N
SMILES:
Nc1nocc1C#N
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.028g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
109.088g/mol
Monoisotopic Mass:
109.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties