Basic information
- CAS
123380-87-0- Standard SMILES
COC(=O)Cc1c[nH]c2cc(OC)ccc12- InChIKey
KKNFZZBGRBWCJZ-UHFFFAOYSA-N- Molecular formula
- C12H13NO3
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.08954328
Names & identifiers
- Preferred name
- Methyl 2-(6-methoxy-1H-indol-3-YL)acetate
- IUPAC
- methyl 2-(6-methoxy-1H-indol-3-yl)acetate
- English name
- 1H-Indole-3-acetic acid, 6-Methoxy-, Methyl ester
- Molecular formula
- C12H13NO3
- Molecular weight
- 219.24
Names & synonyms
123380-87-0METHYL 2-(6-METHOXY-1H-INDOL-3-YL)ACETATEMethyl (6-methoxy-1H-indol-3-yl)acetate1H-Indole-3-acetic acid, 6-methoxy-, methyl ester1h-indole-3-acetic acid,6-methoxy-,methyl esterDTXSID10560882AE-508/09521046
Database identifiers
- CAS
123380-87-0- PubChem CID
- 14487595
- DTXSID
DTXSID10560882
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Melting point
- 92 °C · 92 °C(Solv: benzene (71-43-2))
- Boiling point
- 379.7 · 379.7±27.0 °C(Predicted)
- Density
- 1.226 · 1.226±0.06 g/cm3(Predicted)
- pka
- 16.89 · 16.89±0.30(Predicted)
Chemistry & industry
Suppliers4 total
苏州启航生物科技有限公司18151111370 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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