Methyl 9h-fluorene-1-carboxylate
Basic information
- CAS
28314-01-4- Standard SMILES
COC(=O)c1cccc2c1Cc1ccccc1-2- InChIKey
MUFYBTQAVHTRPC-UHFFFAOYSA-N- Molecular formula
- C15H12O2
- Average molar mass
- 224.25 g/mol
- Monoisotopic mass
- 224.08372962
Names & identifiers
- Preferred name
- Methyl 9h-fluorene-1-carboxylate
- IUPAC
- methyl 9H-fluorene-1-carboxylate
- English name
- Methyl 1-fluorenecarboxylate
- Molecular formula
- C15H12O2
- Molecular weight
- 224.25
Names & synonyms
methyl 9h-fluorene-1-carboxylate28314-01-4DTXSID70292056RefChem:356509DTXCID60243198NSC80169SCHEMBL9486NCIOpen2_004366SCHEMBL4922805methyl9h-fluorene-1-carboxylateNSC-80169AKOS024330726
Show more names
Methyl 1-fluorenecarboxylate9H-FLUORENE-1-CARBOXYLIC ACID METHYL ESTER
DS-011466
Database identifiers
- CAS
28314-01-4- PubChem CID
- 255018
- DTXSID
DTXSID70292056- Nikkaji
- J862.011C
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- Melting point
- 86.6 · 86.6-87.4 °C
- Boiling point
- 379.8 · 379.8±21.0 °C(Predicted)
- Density
- 1.204 · 1.204±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Dichloromethane, Ethyl Acetate, Methanol
- form
- Solid
- color
- Light Pink
Chemistry & industry
Applications
Uses9H-Fluorene-1-carboxylic Acid Methyl Ester is an intermediate in synthesizing Fluoren-1-ol (F462450), a metabolite of the PAH micropollutant Fluorene (F462002) with potential mutagenic effects. It is used as biomarkers to evaluate exposure to PAHs and environmental tobacco smoke in general population.
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Compound notes
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