Home Carboxys 5-(methoxycarbonyl)-1-methyl-1H-pyrrole-2-carboxylic acid

5-(methoxycarbonyl)-1-methyl-1H-pyrrole-2-carboxylic acid

CAS No.:
67858-50-8
Catalog Number:
AG01AMOV
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
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Product Description
Catalog Number:
AG01AMOV
Chemical Name:
5-(methoxycarbonyl)-1-methyl-1H-pyrrole-2-carboxylic acid
CAS Number:
67858-50-8
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
MDL Number:
MFCD20647272
IUPAC Name:
5-methoxycarbonyl-1-methylpyrrole-2-carboxylic acid
InChI:
InChI=1S/C8H9NO4/c1-9-5(7(10)11)3-4-6(9)8(12)13-2/h3-4H,1-2H3,(H,10,11)
InChI Key:
NHERZEGAVIIVOX-UHFFFAOYSA-N
SMILES:
Cn1c(ccc1C(=O)O)C(=O)OC
Properties
Complexity:
228  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
183.163g/mol
Monoisotopic Mass:
183.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties