Diethyl 2-(3,4-dimethoxybenzylidene)malonate
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Basic information
- CAS
15818-13-0- Standard SMILES
CCOC(=O)C(=Cc1ccc(OC)c(OC)c1)C(=O)OCC- InChIKey
FASDMQRNYJBJQK-UHFFFAOYSA-N- Molecular formula
- C16H20O6
- Average molar mass
- 308.33 g/mol
- Monoisotopic mass
- 308.12598836
Names & identifiers
- Preferred name
- Diethyl 2-(3,4-dimethoxybenzylidene)malonate
- IUPAC
- diethyl 2-[(3,4-dimethoxyphenyl)methylidene]propanedioate
Names & synonyms
Diethyl 2-(3,4-dimethoxybenzylidene)malonateRefChem:587099665-742-515818-13-03,4-dimethoxybenzylidenemalonic acid diethyl esterNSC345685SCHEMBL498265DTXSID10319458FASDMQRNYJBJQK-UHFFFAOYSA-NAKOS024335778NSC-345685DB-400773
Show more names
3,4-dimethoxy benzylidene malonic acid diethyl ester3,4-dimethoxybenzylidene malonic acid diethyl esterDiethyl [(3,4-dimethoxyphenyl)methylidene]propanedioate
Database identifiers
- CAS
15818-13-0- PubChem CID
- 335552
- DTXSID
DTXSID10319458- EC Number
- 665-742-5
- Nikkaji
- J1.606.750D
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 383
Experimental & physicochemical properties
LogP2.89
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, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
6 records
Compound notes
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