Basic information
- CAS
5323-91-1- Standard SMILES
CCOC(=O)C(=O)c1ccccc1NC(C)=O- InChIKey
PWMFAHBJVNTTIL-UHFFFAOYSA-N- Molecular formula
- C12H13NO4
- Average molar mass
- 235.24 g/mol
- Monoisotopic mass
- 235.0844579
Names & identifiers
- Preferred name
- Ethyl 2-(2-acetamidophenyl)-2-oxoacetate
- IUPAC
- ethyl 2-(2-acetamidophenyl)-2-oxoacetate
Names & synonyms
ethyl 2-(2-acetamidophenyl)-2-oxoacetateRefChem:593656996-010-67671-90-1ETHYL 2-(2-ACETAMIDOPHENYL)-2-OXO-ACETATE5323-91-1NSC297396DTXSID20967782HAA67190AKOS002348425NSC-297396ethyl2-(2-acetamidophenyl)-2-oxoacetate
Show more names
CS-0260930EN300-763014G53780AB00080750-01N-{2-[Ethoxy(oxo)acetyl]phenyl}ethanimidic acidSR-01000204607SR-01000204607-1F3096-2613
Database identifiers
- CAS
5323-91-1、7671-90-1- PubChem CID
- 326337
- DTXSID
DTXSID20967782- EC Number
- 996-010-6
- Nikkaji
- J3.115.695E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 314
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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