Basic information
- CAS
1096307-72-0- Standard SMILES
O=C(O)c1cccc2c1ccn2CCO- InChIKey
KSBPBOFSCVHVBY-UHFFFAOYSA-N- Molecular formula
- C11H11NO3
- Average molar mass
- 205.21 g/mol
- Monoisotopic mass
- 205.07389321
Names & identifiers
- Preferred name
- 1-(2-hydroxyethyl)-1H-indole-4-carboxylic acid
- IUPAC
- 1-(2-hydroxyethyl)indole-4-carboxylic acid
Names & synonyms
1096307-72-01-(2-hydroxyethyl)-1H-indole-4-carboxylic acidRefChem:422231836-475-31-(2-hydroxyethyl)indole-4-carboxylic acid1-(2-hydroxyethyl)-1H-indole-4-carboxylicacidG56742EN300-5065742
Database identifiers
- CAS
1096307-72-0- PubChem CID
- 43316636
- EC Number
- 836-475-3
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 62.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
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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