Home Carboxys Ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate

Ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate

CAS No.:
2199-46-4
Catalog Number:
AG003Q6D
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
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Product Description
Catalog Number:
AG003Q6D
Chemical Name:
Ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate
CAS Number:
2199-46-4
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
MDL Number:
MFCD00051948
IUPAC Name:
ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C10H15NO2/c1-5-13-10(12)9-7(3)6(2)8(4)11-9/h11H,5H2,1-4H3
InChI Key:
WBOGFZDTCIQHSX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c(c(c1C)C)C
NSC Number:
15767
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.11g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties