Home Carboxys ethyl 3-(2-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxylate

ethyl 3-(2-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxylate

CAS No.:
1492251-72-5
Catalog Number:
AG01C5T3
Molecular Formula:
C9H12N2O3
Molecular Weight:
196.2032
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Product Description
Catalog Number:
AG01C5T3
Chemical Name:
ethyl 3-(2-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxylate
CAS Number:
1492251-72-5
Molecular Formula:
C9H12N2O3
Molecular Weight:
196.2032
MDL Number:
MFCD21198413
IUPAC Name:
ethyl 3-(2-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxylate
InChI:
InChI=1S/C9H12N2O3/c1-3-13-9(12)8-10-7(11-14-8)6-4-5(6)2/h5-6H,3-4H2,1-2H3
InChI Key:
BHHUSDMKIWYJKU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1onc(n1)C1CC1C
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.085g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.206g/mol
Monoisotopic Mass:
196.085g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties