Home Carboxys 1H-Pyrrole-2-carboxylic acid, 4-acetyl-3-ethyl-5-methyl-, ethyl ester

1H-Pyrrole-2-carboxylic acid, 4-acetyl-3-ethyl-5-methyl-, ethyl ester

CAS No.:
37013-86-8
Catalog Number:
AG007CGD
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$373
- +
Product Description
Catalog Number:
AG007CGD
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 4-acetyl-3-ethyl-5-methyl-, ethyl ester
CAS Number:
37013-86-8
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
MDL Number:
MFCD00034388
IUPAC Name:
ethyl 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C12H17NO3/c1-5-9-10(8(4)14)7(3)13-11(9)12(15)16-6-2/h13H,5-6H2,1-4H3
InChI Key:
HVEPFPDHFZUVDC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c(c(c1CC)C(=O)C)C
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.121g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.272g/mol
Monoisotopic Mass:
223.121g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties