Home Carboxys 4-ethyl-1,2,5-oxadiazole-3-carboxylic acid

4-ethyl-1,2,5-oxadiazole-3-carboxylic acid

CAS No.:
1083424-17-2
Catalog Number:
AG01DUYH
Molecular Formula:
C5H6N2O3
Molecular Weight:
142.1127
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Product Description
Catalog Number:
AG01DUYH
Chemical Name:
4-ethyl-1,2,5-oxadiazole-3-carboxylic acid
CAS Number:
1083424-17-2
Molecular Formula:
C5H6N2O3
Molecular Weight:
142.1127
MDL Number:
MFCD26937737
IUPAC Name:
4-ethyl-1,2,5-oxadiazole-3-carboxylic acid
InChI:
InChI=1S/C5H6N2O3/c1-2-3-4(5(8)9)7-10-6-3/h2H2,1H3,(H,8,9)
InChI Key:
WRSLBEBHVLDFNB-UHFFFAOYSA-N
SMILES:
CCc1nonc1C(=O)O
Properties
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.038g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
142.114g/mol
Monoisotopic Mass:
142.038g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties