Basic information
- CAS
157889-30-0- Standard SMILES
COC(=O)COc1cccc2[nH]ccc12- InChIKey
QEJIISDRSNPNAN-UHFFFAOYSA-N- Molecular formula
- C11H11NO3
- Average molar mass
- 205.21 g/mol
- Monoisotopic mass
- 205.07389321
Names & identifiers
- Preferred name
- methyl 2-(1H-indol-4-yloxy)acetate
- IUPAC
- methyl 2-(1H-indol-4-yloxy)acetate
- English name
- methyl 2-(1H-indol-4-yloxy)acetate
- Molecular formula
- C11H11NO3
- Molecular weight
- 205.21
Names & synonyms
methyl 2-(1H-indol-4-yloxy)acetate157889-30-0Methyl 2-((1H-indol-4-yl)oxy)acetateMFCD09834888(1H-Indol-4-yloxy)-acetic acid methyl esterSCHEMBL1137563QEJIISDRSNPNAN-UHFFFAOYSA-NDTXSID201298161methyl2-(1H-indol-4-yloxy)acetateMethyl [(1H-indol-4-yl)oxy]acetateCS-0361704H63278
Show more names
methyl2-(1H-indol-4-yloxy)acetate-M28231Acetic acid, 2-(1H-indol-4-yloxy)-, methyl ester
Database identifiers
- CAS
157889-30-0- PubChem CID
- 23398393
- DTXSID
DTXSID201298161
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Boiling point
- 365 · 365.0±17.0 °C(Predicted)
- Density
- 1.263 · 1.263±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 16.85 · 16.85±0.30(Predicted)
- Appearance
- black powder
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303-H320
- Precautionary statements
- 312 · P312-P264-P305+P351+P338-P337+P313
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
- H303-H320
- Precautionary statements
- P312-P264-P305+P351+P338-P337+P313
Chemistry & industry
Suppliers4 total
艾琪康医药科技（上海）有限公司13661411401 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
艾琪康医药科技（上海）有限公司13512160998; 13512160998 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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