Basic information
- CAS
17448-96-3- Standard SMILES
CCOC(=O)C(=Cc1ccco1)C(=O)OCC- InChIKey
IRUZVWQOYLRAQX-UHFFFAOYSA-N- Molecular formula
- C12H14O5
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.08412354
Names & identifiers
- Preferred name
- Diethyl furfurylidenemalonate
- IUPAC
- diethyl 2-(furan-2-ylmethylidene)propanedioate
- English name
- Diethyl furfurylidene malonate
- Molecular formula
- C12H14O5
- Molecular weight
- 238.24
Names & synonyms
17448-96-3Diethyl furfurylidenemalonateDiethyl 2-(furan-2-ylmethylene)malonateMALONIC ACID, FURFURYLIDENE-, DIETHYL ESTERA6EE0FM7AQEINECS 241-463-0NSC 406758BRN 0211365AI3-05656Propanedioic acid, (2-furanylmethylene)-, diethyl esterUNII-A6EE0FM7AQNSC-406758
Show more names
diethyl2-furfurylidenemalonateDiethyl furfurylidene malonateDiethyl 2-furfurylidenemalonatefurfurylidene-malonicacidiethylester2-Furfurylidenemalonic acid diethyl ester[(2-Furyl)methylene]malonic acid diethyl ester(2-furanylmethylene)-propanedioicacidiethylester2-[(2-Furyl)methylene]malonic acid diethyl ester2-(2-Furanylmethylene)malonic acid diethyl ester
NSC-643042Propanedioic acid, 2-furfurylidene-, diethyl esterDTXSID001698285-18-07-00090 (Beilstein Handbook Reference)PROPANEDIOIC ACID, 2-(2-FURANYLMETHYLENE)-, 1,3-DIETHYL ESTERRefChem:133416DTXCID1092319Propanedioic acid, (2-furanylmethylene)-, diethyl ester (9CI)
Database identifiers
- CAS
17448-96-3- PubChem CID
- 28550
- DTXSID
DTXSID00169828- UNII
- A6EE0FM7AQ
- EC Number
- 241-463-0
- Nikkaji
- J41.610J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- Melting point
- 140 · 140-141 °C(Solv: chloroform (67-66-3))
- Boiling point
- 172 · 172-175 °C(Press: 9 Torr)
- Density
- 1.176 · 1.176±0.06 g/cm3(Predicted)
- FDA UNII
- 6 EE0FM7AQ · A6EE0FM7AQ
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
Alchem Pharmtech,Inc.8485655694 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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