methyl 1-cyclopropyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate
Basic information
- CAS
879362-72-8- Standard SMILES
COC(=O)c1c(C)n(C2CC2)c2ccc(O)cc12- InChIKey
FPLKUWNSSOMXKP-UHFFFAOYSA-N- Molecular formula
- C14H15NO3
- Average molar mass
- 245.27 g/mol
- Monoisotopic mass
- 245.10519334
Names & identifiers
- Preferred name
- methyl 1-cyclopropyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate
- IUPAC
- methyl 1-cyclopropyl-5-hydroxy-2-methylindole-3-carboxylate
Names & synonyms
methyl 1-cyclopropyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate879362-72-8methyl 1-cyclopropyl-5-hydroxy-2-methylindole-3-carboxylateEKB36272AKOS009092739CS-0242044EN300-24361G58327Z188745076methyl 1-cyclopropyl-5-hydroxy-2-methyl-indole-3-carboxylatemethyl1-cyclopropyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate
Database identifiers
- CAS
879362-72-8- PubChem CID
- 9504095
- EC Number
- 129-966-2
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 342
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%)
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Related reactions
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Compound notes
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