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Basic information
- Standard SMILES
CCCCCCCCCCC/C=C/c1c[nH]c(C(=O)O)c1- InChIKey
LUFKLWTUFKTRHK-OUKQBFOZSA-N- Molecular formula
- C18H29NO2
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.21982917
Names & identifiers
- Preferred name
- 4-(1-trans-Tridecenyl)pyrrole-2-carboxylic acid
- IUPAC
- 4-[(E)-tridec-1-enyl]-1H-pyrrole-2-carboxylic acid
Names & synonyms
SCHEMBL9151878LUFKLWTUFKTRHK-OUKQBFOZSA-N4-(1-trans-tridecenyl)pyrrole-2-carboxylic acid
Database identifiers
- PubChem CID
- 15023331
Properties
Computed structural propertiesFilling in
- XLogP
- 6.9
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 302
Related reactions
1 records
Compound notes
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