Home Carboxys 1H-Pyrrole-3-carboxylic acid, 5-methyl-, ethyl ester

1H-Pyrrole-3-carboxylic acid, 5-methyl-, ethyl ester

CAS No.:
2199-50-0
Catalog Number:
AG006XU6
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
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Product Description
Catalog Number:
AG006XU6
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 5-methyl-, ethyl ester
CAS Number:
2199-50-0
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD01006756
IUPAC Name:
ethyl 5-methyl-1H-pyrrole-3-carboxylate
InChI:
InChI=1S/C8H11NO2/c1-3-11-8(10)7-4-6(2)9-5-7/h4-5,9H,3H2,1-2H3
InChI Key:
KCDURADJPCIWEU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c[nH]c(c1)C
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties