4,5,6-Trimethoxy-1H-indole-2-carboxylic acid
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Basic information
- CAS
30448-09-0- Standard SMILES
COc1cc2[nH]c(C(=O)O)cc2c(OC)c1OC- InChIKey
PRUGUKSHOAAIBD-UHFFFAOYSA-N- Molecular formula
- C12H13NO5
- Average molar mass
- 251.23 g/mol
- Monoisotopic mass
- 251.07937252
Names & identifiers
- Preferred name
- 4,5,6-Trimethoxy-1H-indole-2-carboxylic acid
- IUPAC
- 4,5,6-trimethoxy-1H-indole-2-carboxylic acid
- English name
- 4,5,6-TRIMETHOXY-1H-INDOLE-2-CARBOXYLIC ACID
- Molecular formula
- C12H13NO5
- Molecular weight
- 251.24
Names & synonyms
4,5,6-Trimethoxy-1H-indole-2-carboxylic acid30448-09-0MFCD026644574,5,6-trimethoxyindole-2-carboxylic acid1H-Indole-2-carboxylic acid, 4,5,6-trimethoxy-SCHEMBL2908763SBB019070STK694727AKOS000506084SY152928ST4146377ST50289643
Show more names
4,5,6-Trimethoxy-1H-indole-2-carboxylicacidEN300-15096G19108SR-01000368602SR-01000368602-1Z119989612
Database identifiers
- CAS
30448-09-0- PubChem CID
- 907569
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Melting point
- 218 · 218-220 °C (decomp)
- Boiling point
- 473.6 · 473.6±40.0 °C(Predicted)
- Density
- 1.347 · 1.347±0.06 g/cm3(Predicted)
- pka
- 4.55 · 4.55±0.30(Predicted)
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
4 records
Compound notes
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