Basic information
- CAS
3651-13-6- Standard SMILES
CCOC(=O)c1[nH]c(C)c(C(=O)OCC)c1-c1ccccc1- InChIKey
WFCFVRPMQNZKLE-UHFFFAOYSA-N- Molecular formula
- C17H19NO4
- Average molar mass
- 301.34 g/mol
- Monoisotopic mass
- 301.13140809
Names & identifiers
- Preferred name
- diethyl 5-methyl-3-phenyl-1H-pyrrole-2,4-dicarboxylate
- IUPAC
- diethyl 5-methyl-3-phenyl-1H-pyrrole-2,4-dicarboxylate
Names & synonyms
diethyl 5-methyl-3-phenyl-1H-pyrrole-2,4-dicarboxylate3651-13-6DTXSID50303018RefChem:337934DTXCID90254151MFCD03081814NSC-1561221H-Pyrrole-2,4-dicarboxylicacid, 5-methyl-3-phenyl-, 2,4-diethyl esterWFCFVRPMQNZKLE-UHFFFAOYSA-NNSC156122SCHEMBL11267062,4-Diethyl 5-methyl-3-phenyl-1H-pyrrole-2,4-dicarboxylate
Show more names
AC971796FY6447U7SY264840WS-02209DB-220370CS-0451729AN-970/40920587diethyl 5-methyl-3-phenyl-1H-pyrrole-2,4 dicarboxylate
Database identifiers
- CAS
3651-13-6- PubChem CID
- 291171
- DTXSID
DTXSID50303018- UNII
- 96FY6447U7
- Nikkaji
- J1.566.841E
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 392
Related reactions
7 records
Compound notes
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