Home Carboxys ethyl 4-cyano-1H-pyrrole-3-carboxylate

ethyl 4-cyano-1H-pyrrole-3-carboxylate

CAS No.:
156422-76-3
Catalog Number:
AG01DVOH
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
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Product Description
Catalog Number:
AG01DVOH
Chemical Name:
ethyl 4-cyano-1H-pyrrole-3-carboxylate
CAS Number:
156422-76-3
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
MDL Number:
MFCD12924681
IUPAC Name:
ethyl 4-cyano-1H-pyrrole-3-carboxylate
InChI:
InChI=1S/C8H8N2O2/c1-2-12-8(11)7-5-10-4-6(7)3-9/h4-5,10H,2H2,1H3
InChI Key:
NTWGFNWYTUGVSO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c[nH]cc1C#N
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.059g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.164g/mol
Monoisotopic Mass:
164.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
65.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties