7-(3-Carboxypropyl)-9-(hydroxymethyl)-9H-fluorene-4-carboxylic acid
Basic information
- CAS
917615-47-5- Standard SMILES
O=C(O)CCCc1ccc2c(c1)C(CO)c1cccc(C(=O)O)c1-2- InChIKey
QWAIDBRPFVAPRS-UHFFFAOYSA-N- Molecular formula
- C19H18O5
- Average molar mass
- 326.3 g/mol
- Monoisotopic mass
- 326.11542367
Names & identifiers
- Preferred name
- 7-(3-Carboxypropyl)-9-(hydroxymethyl)-9H-fluorene-4-carboxylic acid
- IUPAC
- 7-(3-carboxypropyl)-9-(hydroxymethyl)-9H-fluorene-4-carboxylic acid
Names & synonyms
917615-47-57-(3-Carboxypropyl)-9-(hydroxymethyl)-9H-fluorene-4-carboxylic acidSCHEMBL1115139DTXSID60729987QWAIDBRPFVAPRS-UHFFFAOYSA-N9-hydroxymethyl-7-(3-carboxy-propyl)-4-fluorenecarboxylic acid
Database identifiers
- CAS
917615-47-5- PubChem CID
- 58776040
- DTXSID
DTXSID60729987
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 476
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Related reactions
7 records
Compound notes
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