Basic information
- CAS
146967-87-5- Standard SMILES
COC(=O)C=C1c2ccccc2-c2ccccc21- InChIKey
JKKWDADOWDCWKC-UHFFFAOYSA-N- Molecular formula
- C16H12O2
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.08372962
Names & identifiers
- Preferred name
- Methyl 9-fluorenylideneacetate
- IUPAC
- methyl 2-fluoren-9-ylideneacetate
- English name
- Methyl 9-fluorenylideneacetate
- Molecular formula
- C16H12O2
- Molecular weight
- 236.27
Names & synonyms
Methyl 9-fluorenylideneacetate146967-87-5DTXSID60352895RefChem:356491DTXCID70303959methyl 2-fluoren-9-ylideneacetateMETHYL 2-(9H-FLUOREN-9-YLIDENE)ACETATEMETHYL9-FLUORENYLIDENEACETATESCHEMBL24704037Methyl 9-fluorenylideneacetate, 95%SBB056938AKOS024360126
Show more names
LABOTEST-BB LT00112245Methyl 9-fluorenylideneacetate 95%Methyl 9-fluorenylideneacetate,95%Acetic acid, 2-(9H-fluoren-9-ylidene)-, methyl ester
Methyl (9H-fluoren-9-ylidene)acetateDB-063689ST50989885EN300-1459522
Database identifiers
- CAS
146967-87-5- PubChem CID
- 735976
- DTXSID
DTXSID60352895- Nikkaji
- J1.623.083I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Melting point
- 108 · 108-112 °C (lit.)
- Boiling point
- 390.1 · 390.1±11.0 °C(Predicted)
- Density
- 1.273 · 1.273±0.06 g/cm3(Predicted)
- form
- solid
- InChI
- 1S/C16H12O2/c1-18-16(17)10-15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h2-10H,1H3
- InChIKey
- JKKWDADOWDCWKC-UHFFFAOYSA-N
- SMILES
- COC(=O)\C=C1/c2ccccc2-c3ccccc13
- UNSPSC Code
- 12352100 · 12352100
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- Storage Class
- 13 · 13 - Non Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 13 - Non Combustible Solids
Chemistry & industry
Suppliers1 total
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…