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

Ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate

CAS No.:
2199-44-2
Catalog Number:
AG003Q6Q
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$38
- +
25g
98%
In Stock USA
United States
$125
- +
100g
98%
In Stock USA
United States
$369
- +
Product Description
Catalog Number:
AG003Q6Q
Chemical Name:
Ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate
CAS Number:
2199-44-2
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD00010645
IUPAC Name:
ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C9H13NO2/c1-4-12-9(11)8-6(2)5-7(3)10-8/h5,10H,4H2,1-3H3
InChI Key:
IZSBSZYFPYIJDI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c(cc1C)C
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:
2  
Literature
Title Journal
Ethyl 3,5-dimethyl-1H-pyrrole-2-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20081001
Properties