Home Carboxys Ethyl2,5-dimethylpyrrole-3-carboxylate

Ethyl2,5-dimethylpyrrole-3-carboxylate

CAS No.:
2199-52-2
Catalog Number:
AG00BD8N
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
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Product Description
Catalog Number:
AG00BD8N
Chemical Name:
Ethyl2,5-dimethylpyrrole-3-carboxylate
CAS Number:
2199-52-2
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD00022376
IUPAC Name:
ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate
InChI:
InChI=1S/C9H13NO2/c1-4-12-9(11)8-5-6(2)10-7(8)3/h5,10H,4H2,1-3H3
InChI Key:
NOCOMGOGAJYTPH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc([nH]c1C)C
NSC Number:
19437
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
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