Home Carboxys tert-butyl 5-cyano-1,2-oxazole-3-carboxylate

tert-butyl 5-cyano-1,2-oxazole-3-carboxylate

CAS No.:
2112671-44-8
Catalog Number:
AG01EJS7
Molecular Formula:
C9H10N2O3
Molecular Weight:
194.1873
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01EJS7
Chemical Name:
tert-butyl 5-cyano-1,2-oxazole-3-carboxylate
CAS Number:
2112671-44-8
Molecular Formula:
C9H10N2O3
Molecular Weight:
194.1873
MDL Number:
MFCD31666030
IUPAC Name:
tert-butyl 5-cyano-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C9H10N2O3/c1-9(2,3)13-8(12)7-4-6(5-10)14-11-7/h4H,1-3H3
InChI Key:
GYUFDQWXWDMAKP-UHFFFAOYSA-N
SMILES:
N#Cc1onc(c1)C(=O)OC(C)(C)C
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.069g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.19g/mol
Monoisotopic Mass:
194.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties