methyl 4,7-dimethoxy-1H-indole-2-carboxylate
Basic information
- CAS
187607-71-2- Standard SMILES
COC(=O)c1cc2c(OC)ccc(OC)c2[nH]1- InChIKey
ZBAZNJDNQVSIIU-UHFFFAOYSA-N- Molecular formula
- C12H13NO4
- Average molar mass
- 235.24 g/mol
- Monoisotopic mass
- 235.0844579
Names & identifiers
- Preferred name
- methyl 4,7-dimethoxy-1H-indole-2-carboxylate
- IUPAC
- methyl 4,7-dimethoxy-1H-indole-2-carboxylate
- English name
- 4,7-Dimethoxy-1H-indole-2-carboxylic acid methyl ester
- Molecular formula
- C12H13NO4
- Molecular weight
- 235.24
Names & synonyms
methyl 4,7-dimethoxy-1H-indole-2-carboxylate187607-71-2methyl 4,7-dimethoxyindole-2-carboxylateMFCD049669584,7-Dimethoxy-1H-indole-2-carboxylic acid methyl ester1H-Indole-2-carboxylic acid, 4,7-dimethoxy-, methyl esterSCHEMBL644452DTXSID10405800ZBAZNJDNQVSIIU-UHFFFAOYSA-NSBB098406AKOS000123976SY367664
Show more names
AKOS JY2083576
CS-0361854methyl4,7-dimethoxy-1H-indole-2-carboxylateEN300-6499064F316596
Database identifiers
- CAS
187607-71-2- PubChem CID
- 4714975
- DTXSID
DTXSID10405800- Nikkaji
- J2.133.334D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 60.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Boiling point
- 412.8 · 412.8±40.0 °C(Predicted)
- Density
- 1.252 · 1.252±0.06 g/cm3(Predicted)
- pka
- 14.68 · 14.68±0.30(Predicted)
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Related reactions
1 records
Compound notes
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