Basic information
- CAS
86803-20-5- Standard SMILES
O=C(O)CCC(C(=O)O)c1ccc2ccc3cccc4ccc1c2c34- InChIKey
MKXUPVSKVZYRRU-UHFFFAOYSA-N- Molecular formula
- C21H16O4
- Average molar mass
- 332.3 g/mol
- Monoisotopic mass
- 332.10485899
Names & identifiers
- Preferred name
- 2-pyren-1-ylpentanedioic Acid
- IUPAC
- 2-pyren-1-ylpentanedioic acid
Names & synonyms
86803-20-52-pyren-1-ylpentanedioic Acid2-(pyren-1-yl)pentanedioic acidPentanedioic acid, 2-pyren-1-yl-SCHEMBL27804981DTXSID101007094
Database identifiers
- CAS
86803-20-5- PubChem CID
- 186367
- DTXSID
DTXSID101007094
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 530
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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