Home Carboxys methyl 5-tert-butyl-1,3,4-oxadiazole-2-carboxylate

methyl 5-tert-butyl-1,3,4-oxadiazole-2-carboxylate

CAS No.:
1565976-13-7
Catalog Number:
AG01B5QV
Molecular Formula:
C8H12N2O3
Molecular Weight:
184.1925
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Product Description
Catalog Number:
AG01B5QV
Chemical Name:
methyl 5-tert-butyl-1,3,4-oxadiazole-2-carboxylate
CAS Number:
1565976-13-7
Molecular Formula:
C8H12N2O3
Molecular Weight:
184.1925
MDL Number:
MFCD26058698
IUPAC Name:
methyl 5-tert-butyl-1,3,4-oxadiazole-2-carboxylate
InChI:
InChI=1S/C8H12N2O3/c1-8(2,3)7-10-9-5(13-7)6(11)12-4/h1-4H3
InChI Key:
DTQGRCCICURYSO-UHFFFAOYSA-N
SMILES:
COC(=O)c1nnc(o1)C(C)(C)C
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.085g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.195g/mol
Monoisotopic Mass:
184.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties