Home Carboxys 1H-Pyrrole-2-carboxylicacid,4-cyano-,methylester(9CI)

1H-Pyrrole-2-carboxylicacid,4-cyano-,methylester(9CI)

CAS No.:
937-18-8
Catalog Number:
AG00H5L9
Molecular Formula:
C7H6N2O2
Molecular Weight:
150.1347
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Product Description
Catalog Number:
AG00H5L9
Chemical Name:
1H-Pyrrole-2-carboxylicacid,4-cyano-,methylester(9CI)
CAS Number:
937-18-8
Molecular Formula:
C7H6N2O2
Molecular Weight:
150.1347
MDL Number:
MFCD12924296
IUPAC Name:
methyl 4-cyano-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C7H6N2O2/c1-11-7(10)6-2-5(3-8)4-9-6/h2,4,9H,1H3
InChI Key:
KLLCRUMWQRYULP-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(c[nH]1)C#N
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.043g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
150.137g/mol
Monoisotopic Mass:
150.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties