Basic information
- CAS
94252-30-9- Standard SMILES
Cc1[nH]c(C(=O)O)c(C)c1C(=O)OCc1ccccc1- InChIKey
AODYUQBSEOJHTD-UHFFFAOYSA-N- Molecular formula
- C15H15NO4
- Average molar mass
- 273.28 g/mol
- Monoisotopic mass
- 273.10010796
Names & identifiers
- Preferred name
- 3,5-dimethyl-4-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic Acid
- IUPAC
- 3,5-dimethyl-4-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic acid
- English name
- Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 4-benzyl ester (7CI)
- Molecular formula
- C15H15NO4
- Molecular weight
- 273.2839
Names & synonyms
3,5-dimethyl-4-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic Acid94252-30-9ST020162Oprea1_806894DTXSID60350417AKOS0242781793,5-dimethyl-4-[benzyloxycarbonyl]pyrrole-2-carboxylic acid4-[(BENZYLOXY)CARBONYL]-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID3,5-dimethylpyrrole-2,4-dicarboxylic acid 4-benzyl esterPyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 4-benzyl ester (7CI)
Database identifiers
- CAS
94252-30-9- PubChem CID
- 678570
- DTXSID
DTXSID60350417
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 365
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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