1-(3,5-Dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
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Basic information
- CAS
63674-90-8- Standard SMILES
COc1cc(OC)cc(N2CC(C(=O)O)CC2=O)c1- InChIKey
MAIVMKPIFBEDAY-UHFFFAOYSA-N- Molecular formula
- C13H15NO5
- Average molar mass
- 265.26 g/mol
- Monoisotopic mass
- 265.09502258
Names & identifiers
- Preferred name
- 1-(3,5-Dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
- IUPAC
- 1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
- English name
- 1-(3,5-DIMETHOXYPHENYL)-5-OXOPYRROLIDINE-3-CARBOXYLIC ACID
- Molecular formula
- C13H15NO5
- Molecular weight
- 265.26
Names & synonyms
1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid63674-90-8MFCD084422473-Pyrrolidinecarboxylic acid, 1-(3,5-dimethoxyphenyl)-5-oxo-SCHEMBL11643132ALBB-015630STK633466AKOS000124744AKOS017259031NS-04173CS-0230185EN300-102651
Show more names
G42696Z2852242381-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylicacid1-(3,5-dimethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylic acid
Database identifiers
- CAS
63674-90-8- PubChem CID
- 16769092
- EC Number
- 179-952-5
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 347
Physicochemical properties
- Boiling point
- 576.1 · 576.1±50.0 °C(Predicted)
- Density
- 1.321 · 1.321±0.06 g/cm3(Predicted)
- pka
- 4.29 · 4.29±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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