Basic information
- CAS
1515517-77-7- Standard SMILES
CN1CCc2cc(C=O)c(O)cc21- InChIKey
JGBTYLPOFPHBHN-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Names & identifiers
- Preferred name
- 6-hydroxy-1-methyl-2,3-dihydro-1H-indole-5-carbaldehyde
- IUPAC
- 6-hydroxy-1-methyl-2,3-dihydroindole-5-carbaldehyde
Names & synonyms
1515517-77-76-hydroxy-1-methyl-2,3-dihydro-1H-indole-5-carbaldehydeRefChem:543340834-416-66-Hydroxy-1-methyl-2,3-dihydroindole-5-carbaldehyde6-Hydroxy-1-methylindoline-5-carbaldehydeEN300-6744074Z1813169249
Database identifiers
- CAS
1515517-77-7- PubChem CID
- 82599331
- EC Number
- 834-416-6
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 207
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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