Ethyl 4-carboethoxybenzoylformate
Basic information
- CAS
102697-43-8- Standard SMILES
CCOC(=O)C(=O)c1ccc(C(=O)OCC)cc1- InChIKey
PVWAXIMAWDPJQL-UHFFFAOYSA-N- Molecular formula
- C13H14O5
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.08412354
Names & identifiers
- Preferred name
- Ethyl 4-carboethoxybenzoylformate
- IUPAC
- ethyl 4-(2-ethoxy-2-oxoacetyl)benzoate
- English name
- ETHYL 4-CARBOETHOXYBENZOYLFORMATE
- Molecular formula
- C13H14O5
- Molecular weight
- 250.25
Names & synonyms
Ethyl 4-carboethoxybenzoylformate102697-43-8ethyl 4-(2-ethoxy-2-oxoacetyl)benzoateMFCD01319611Ethyl4-carboethoxybenzoylformateEthyl 4-[ethoxy(oxo)acetyl]benzoateDTXSID90545253AKOS016017075ethyl 4-(2-ethoxy-2-oxo-acetyl)benzoateDB-208921F200947Benzeneacetic acid, 4-(ethoxycarbonyl)-alpha-oxo-, ethyl ester
Show more names
ethyl 2-(4-ethoxycarbonylphenyl)-2-oxoacetateBenzeneacetic acid, 4-(ethoxycarbonyl)-α-oxo-, ethyl esterBenzeneacetic acid, 4-(ethoxycarbonyl)-α-oxo-, ethyl ester
Database identifiers
- CAS
102697-43-8- PubChem CID
- 13623458
- DTXSID
DTXSID90545253- Nikkaji
- J2.840.175B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 411 · P411+P235-P280-P305+P351+P338
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
- H317-H319
- Precautionary statements
- P411+P235-P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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