2-(5-methoxy-1H-indol-2-yl)acetic acid
Basic information
- CAS
1018591-50-8- Standard SMILES
COc1ccc2[nH]c(CC(=O)O)cc2c1- InChIKey
ITSUZTOXIGCANA-UHFFFAOYSA-N- Molecular formula
- C11H11NO3
- Average molar mass
- 205.21 g/mol
- Monoisotopic mass
- 205.07389321
Names & identifiers
- Preferred name
- 2-(5-methoxy-1H-indol-2-yl)acetic acid
- IUPAC
- 2-(5-methoxy-1H-indol-2-yl)acetic acid
Names & synonyms
1018591-50-82-(5-methoxy-1H-indol-2-yl)acetic acidRefChem:458886838-829-21H-Indole-2-acetic acid, 5-methoxy-(5-METHOXY-1H-INDOL-2-YL)ACETIC ACIDSCHEMBL1331625TQB59150AKOS015948185DB-107669(5-METHOXY-1H-INDOL-2-YL)ACETICACIDEN300-1709884
Show more names
Q42412390
Database identifiers
- CAS
1018591-50-8- PubChem CID
- 19821420
- EC Number
- 838-829-2
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 62.3 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
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…