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Home Carboxys 1H-Pyrrole-2,3-dicarboxylic acid dimethyl ester

1H-Pyrrole-2,3-dicarboxylic acid dimethyl ester

CAS No.:
2818-08-8
Catalog Number:
AG00BHPM
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$150
- +
1g
97%
In Stock USA
United States
$413
- +
5g
97%
In Stock USA
United States
$1238
- +
Product Description
Catalog Number:
AG00BHPM
Chemical Name:
1H-Pyrrole-2,3-dicarboxylic acid dimethyl ester
CAS Number:
2818-08-8
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
MDL Number:
MFCD02328549
IUPAC Name:
dimethyl 1H-pyrrole-2,3-dicarboxylate
InChI:
InChI=1S/C8H9NO4/c1-12-7(10)5-3-4-9-6(5)8(11)13-2/h3-4,9H,1-2H3
InChI Key:
AKJAEUGFSVPHBU-UHFFFAOYSA-N
SMILES:
COC(=O)c1[nH]ccc1C(=O)OC
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:
1  
Isotope Atom Count:
0
Molecular Weight:
183.163g/mol
Monoisotopic Mass:
183.053g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Novel anti-infective compounds from marine bacteria. Marine drugs 20100101
Properties