Basic information
- CAS
7473-13-4- Standard SMILES
COC(=O)c1[nH]c(CC(=O)O)c(C(=O)O)c1C- InChIKey
MNFFVIJIWKSPFP-UHFFFAOYSA-N- Molecular formula
- C10H11NO6
- Average molar mass
- 241.2 g/mol
- Monoisotopic mass
- 241.05863707
Names & identifiers
- Preferred name
- 2-(carboxymethyl)-5-methoxycarbonyl-4-methyl-1H-pyrrole-3-carboxylic acid
- IUPAC
- 2-(carboxymethyl)-5-methoxycarbonyl-4-methyl-1H-pyrrole-3-carboxylic acid
Names & synonyms
7473-13-4NSC 400236NSC4002362-(carboxymethyl)-5-methoxycarbonyl-4-methyl-1H-pyrrole-3-carboxylic acidDTXSID10322023NSC-4002362-(Carboxymethyl)-5-(methoxycarbonyl)-4-methyl-1H-pyrrole-3-carboxylic acid
Database identifiers
- CAS
7473-13-4- PubChem CID
- 343752
- DTXSID
DTXSID10322023
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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