Diethyl 2-[(4-nitrophenyl)methyl]propanedioate
Basic information
- CAS
7598-70-1- Standard SMILES
CCOC(=O)C(Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC- InChIKey
DDENYKBUELXLAQ-UHFFFAOYSA-N- Molecular formula
- C14H17NO6
- Average molar mass
- 295.29 g/mol
- Monoisotopic mass
- 295.10558726
Names & identifiers
- Preferred name
- Diethyl 2-[(4-nitrophenyl)methyl]propanedioate
- IUPAC
- diethyl 2-[(4-nitrophenyl)methyl]propanedioate
- English name
- diethyl 2-[(4-nitrophenyl)methyl]propanedioate
- Molecular formula
- C14H17NO6
- Molecular weight
- 295.29
Names & synonyms
Diethyl 2-(4-nitrobenzyl)malonate7598-70-1diethyl 2-[(4-nitrophenyl)methyl]propanedioateMFCD00024804NSC407958SCHEMBL2672728Diethyl2-(4-nitrobenzyl)malonateDTXSID30324903DDENYKBUELXLAQ-UHFFFAOYSA-NDiethyl-2-(4-nitrobenzyl)malonateAKOS018014504NSC-407958
Show more names
Propanedioic acid, 2-[(4-nitrophenyl)methyl]-, 1,3-diethyl ester
DS-19843SY567266DB-170781CS-0163134Diethyl [(4-nitrophenyl)methyl]propanedioate2-(4-Nitrobenzyl)-malonic acid diethyl esterC76428
Database identifiers
- CAS
7598-70-1- PubChem CID
- 348576
- DTXSID
DTXSID30324903- Nikkaji
- J913.908G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Suppliers
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Related reactions
7 records
Compound notes
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