Basic information
- CAS
5443-41-4- Standard SMILES
CCOC(=O)c1c(C)[nH]c(C)c1/C=C/C(=O)O- InChIKey
WCLGMNCYFCZZDZ-AATRIKPKSA-N- Molecular formula
- C12H15NO4
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.10010796
Names & identifiers
- Preferred name
- (E)-3-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid
- IUPAC
- (E)-3-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid
Names & synonyms
NSC19662NSC-19662
Database identifiers
- CAS
5443-41-4- PubChem CID
- 5354792
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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