3-ethyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one
Basic information
- CAS
4770-15-4- Standard SMILES
CCC1(O)NC(=O)c2ccccc21- InChIKey
KELVQLBDARZFDQ-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Names & identifiers
- Preferred name
- 3-ethyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one
- IUPAC
- 3-ethyl-3-hydroxy-2H-isoindol-1-one
Names & synonyms
3-ethyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one4770-15-4
Database identifiers
- CAS
4770-15-4- PubChem CID
- 53473500
- EC Number
- 185-178-9
- Nikkaji
- J2.028.141C
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 229
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…