Home Carboxys 5-(Ethoxycarbonyl)-1h-pyrrole-2-carboxylic acid

5-(Ethoxycarbonyl)-1h-pyrrole-2-carboxylic acid

CAS No.:
952569-58-3
Catalog Number:
AG00IIWB
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$144
- +
5g
98%
In Stock USA
United States
$432
- +
Product Description
Catalog Number:
AG00IIWB
Chemical Name:
5-(Ethoxycarbonyl)-1h-pyrrole-2-carboxylic acid
CAS Number:
952569-58-3
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
MDL Number:
MFCD05863424
IUPAC Name:
5-ethoxycarbonyl-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C8H9NO4/c1-2-13-8(12)6-4-3-5(9-6)7(10)11/h3-4,9H,2H2,1H3,(H,10,11)
InChI Key:
BMQLZHDFXVPFKX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc([nH]1)C(=O)O
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.053g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
183.163g/mol
Monoisotopic Mass:
183.053g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties