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Basic information
- CAS
72934-84-0- Standard SMILES
CC(=O)N1C(=O)C(C)(C)c2ccccc21- InChIKey
WSBBBRWBBKHEFG-UHFFFAOYSA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
Names & identifiers
- Preferred name
- 1-Acetyl-3,3-dimethyl-1,3-dihydro-indol-2-one
- IUPAC
- 1-acetyl-3,3-dimethylindol-2-one
Names & synonyms
72934-84-01-acetyl-3,3-dimethyl-1,3-dihydro-indol-2-oneRefChem:428981684-786-61-acetyl-3,3-dimethylindolin-2-one1-acetyl-3,3-dimethyl-2,3-dihydro-1H-indol-2-one1-acetyl-3,3-dimethylindol-2-oneN-acetyl dimethyl oxindoleSCHEMBL1572546WSBBBRWBBKHEFG-UHFFFAOYSA-NAKOS005145122AI-204/31728054
Show more names
1-acetyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-one
Database identifiers
- CAS
72934-84-0- PubChem CID
- 853607
- EC Number
- 684-786-6
- Nikkaji
- J593.863E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 309
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
16 records
Compound notes
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