Basic information
- CAS
32277-93-3- Standard SMILES
CCOC(=O)Oc1ccccc1-n1cccc1- InChIKey
DRKKYAPZVOMIHR-UHFFFAOYSA-N- Molecular formula
- C13H13NO3
- Average molar mass
- 231.25 g/mol
- Monoisotopic mass
- 231.08954328
Names & identifiers
- Preferred name
- Ethyl 2-(1H-pyrrol-1-yl)phenyl carbonate
- IUPAC
- ethyl (2-pyrrol-1-ylphenyl) carbonate
Names & synonyms
DTXSID901250114Ethyl 2-(1H-pyrrol-1-yl)phenyl carbonateCarbonic acid, ethyl o-pyrrol-2-ylphenyl ester32277-93-3
Database identifiers
- CAS
32277-93-3- PubChem CID
- 21822014
- DTXSID
DTXSID901250114
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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