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

1,2,4-Oxadiazole-5-carboxylic acid, 3-ethyl-, ethyl ester

CAS No.:
139443-40-6
Catalog Number:
AG001B1B
Molecular Formula:
C7H10N2O3
Molecular Weight:
170.1659
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Product Description
Catalog Number:
AG001B1B
Chemical Name:
1,2,4-Oxadiazole-5-carboxylic acid, 3-ethyl-, ethyl ester
CAS Number:
139443-40-6
Molecular Formula:
C7H10N2O3
Molecular Weight:
170.1659
MDL Number:
MFCD08275043
IUPAC Name:
ethyl 3-ethyl-1,2,4-oxadiazole-5-carboxylate
InChI:
InChI=1S/C7H10N2O3/c1-3-5-8-6(12-9-5)7(10)11-4-2/h3-4H2,1-2H3
InChI Key:
BHPIMJOELWDAGZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1onc(n1)CC
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.069g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.168g/mol
Monoisotopic Mass:
170.069g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties