Basic information
- CAS
303032-44-2- Standard SMILES
CCC(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC- InChIKey
GPRMLEQARAQNLJ-UHFFFAOYSA-N- Molecular formula
- C13H15NO5
- Average molar mass
- 265.26 g/mol
- Monoisotopic mass
- 265.09502258
Names & identifiers
- Preferred name
- Dimethyl 2-(propanoylamino)benzene-1,4-dicarboxylate
- IUPAC
- dimethyl 2-(propanoylamino)benzene-1,4-dicarboxylate
Names & synonyms
Oprea1_516026Oprea1_771875dimethyl 2-(propanoylamino)benzene-1,4-dicarboxylatedimethyl 2-propionamidoterephthalateSTK151412AKOS000540422dimethyl 2-(propionylamino)terephthalateST061505dimethyl 2-propanamidobenzene-1,4-dicarboxylatemethyl 4-(methoxycarbonyl)-2-(propanoylamino)benzoate303032-44-2
Database identifiers
- CAS
303032-44-2- PubChem CID
- 720161
- EC Number
- 144-586-7
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 355
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, 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. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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