Basic information
- CAS
5458-69-5- Standard SMILES
CCOC(=O)C(=Cc1ccc2c(c1)OCO2)C(=O)OCC- InChIKey
YRPDOPMGYCRHAW-UHFFFAOYSA-N- Molecular formula
- C15H16O6
- Average molar mass
- 292.28 g/mol
- Monoisotopic mass
- 292.09468823
Names & identifiers
- Preferred name
- Diethyl 2-(1,3-benzodioxol-5-ylmethylene)malonate
- IUPAC
- diethyl 2-(1,3-benzodioxol-5-ylmethylidene)propanedioate
- English name
- diethyl 2-(benzo[1,3]dioxol-5-ylmethylidene)propanedioate
- Molecular formula
- C15H16O6
- Molecular weight
- 292.28394
Names & synonyms
Diethyl 2-(1,3-benzodioxol-5-ylmethylene)malonate5458-69-5DTXSID60281994RefChem:337785DTXCID90233148Piperonylidene malonic acid diethyl esterDiethyl piperonylidenemalonateSCHEMBL8406978NSC23753NSC-23753AKOS024342158ST50559659
Show more names
diethyl 2-(benzo[1,3]dioxol-5-ylmethylidene)propanedioate2-BENZO(1,3)DIOXOL-5-YLMETHYLENE-MALONIC ACID DIETHYL ESTER
Diethyl 2-(1,3-benzodioxol-5-ylmethylene)malonate #diethyl 2-(benzo[d][1,3]dioxol-5-ylmethylene)malonateDiethyl [(2H-1,3-benzodioxol-5-yl)methylidene]propanedioatediethyl 2-(2H-benzo[d]1,3-dioxolen-5-ylmethylene)propane-1,3-dioate
Database identifiers
- CAS
5458-69-5- PubChem CID
- 229795
- DTXSID
DTXSID60281994- EC Number
- 149-857-3
- Nikkaji
- J1.487.630H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 396
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
2 records
Compound notes
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