4,6,7-trimethyl-1H-indole-2-carboxylic acid
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Basic information
- CAS
383133-18-4- Standard SMILES
Cc1cc(C)c2cc(C(=O)O)[nH]c2c1C- InChIKey
CDZKEBOPHBEZGX-UHFFFAOYSA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.09462866
Names & identifiers
- Preferred name
- 4,6,7-trimethyl-1H-indole-2-carboxylic acid
- IUPAC
- 4,6,7-trimethyl-1H-indole-2-carboxylic acid
- English name
- 4,6,7-TRIMETHYL-1H-INDOLE-2-CARBOXYLIC ACID
- Molecular formula
- C12H13NO2
- Molecular weight
- 203.24
Names & synonyms
4,6,7-trimethyl-1H-indole-2-carboxylic Acid383133-18-4RefChem:507896965-508-5MFCD02664504SCHEMBL3591407CDZKEBOPHBEZGX-UHFFFAOYSA-NIQA13318AKOS005144189SY153078CS-02349724,6,7-trimethyl-1H-indole-2-carboxylicAcid
Show more names
EN300-15118G47111Z119990518
Database identifiers
- CAS
383133-18-4- PubChem CID
- 3334902
- EC Number
- 965-508-5
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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