Home Carboxys 5-cyano-1,2-oxazole-3-carboxylic acid

5-cyano-1,2-oxazole-3-carboxylic acid

CAS No.:
1368193-26-3
Catalog Number:
AG01DVXT
Molecular Formula:
C5H2N2O3
Molecular Weight:
138.0810
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Product Description
Catalog Number:
AG01DVXT
Chemical Name:
5-cyano-1,2-oxazole-3-carboxylic acid
CAS Number:
1368193-26-3
Molecular Formula:
C5H2N2O3
Molecular Weight:
138.0810
MDL Number:
MFCD22071179
IUPAC Name:
5-cyano-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C5H2N2O3/c6-2-3-1-4(5(8)9)7-10-3/h1H,(H,8,9)
InChI Key:
UHAULYQZAGMLBN-UHFFFAOYSA-N
SMILES:
N#Cc1onc(c1)C(=O)O
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.007g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
138.082g/mol
Monoisotopic Mass:
138.007g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties