Basic information
- CAS
187607-75-6- Standard SMILES
COC(=O)c1cc2c(C)ccc(C)c2[nH]1- InChIKey
YZQUXXYSYNUUGT-UHFFFAOYSA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.09462866
Names & identifiers
- Preferred name
- methyl 4,7-dimethyl-1H-indole-2-carboxylate
- IUPAC
- methyl 4,7-dimethyl-1H-indole-2-carboxylate
- English name
- 4,7-Dimethyl-1H-indole-2-carboxylic acid methyl ester
- Molecular formula
- C12H13NO2
- Molecular weight
- 203.24
Names & synonyms
methyl 4,7-dimethyl-1H-indole-2-carboxylate187607-75-6methyl 4,7-dimethylindole-2-carboxylateMFCD04966959SCHEMBL8318563DTXSID70405801YZQUXXYSYNUUGT-UHFFFAOYSA-NSTK893286AKOS000123980SY367976CS-0361855methyl4,7-dimethyl-1H-indole-2-carboxylate
Show more names
4,7-Dimethyl-1H-indole-2-carboxylic acid methyl ester1H-Indole-2-carboxylic acid, 4,7-dimethyl-, methyl ester
Database identifiers
- CAS
187607-75-6- PubChem CID
- 4714976
- DTXSID
DTXSID70405801
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Boiling point
- 350.9 · 350.9±37.0 °C(Predicted)
- Density
- 1.179 · 1.179±0.06 g/cm3(Predicted)
- pka
- 15.63 · 15.63±0.30(Predicted)
- Hazard Codes
- Xi
- HS Code
- 2933998090 · 2933998090
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
- hs_code
- 2933998090
- hazard_code
- Xi
Chemistry & industry
Suppliers1 total
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
13 records
Compound notes
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