Basic information
- CAS
708991-26-8- Standard SMILES
CC(C)OC(=O)Cn1cc(C=O)c2ccccc21- InChIKey
KDDXVLFFTPXKKA-UHFFFAOYSA-N- Molecular formula
- C14H15NO3
- Average molar mass
- 245.27 g/mol
- Monoisotopic mass
- 245.10519334
Names & identifiers
- Preferred name
- Isopropyl (3-formyl-1H-indol-1-YL)acetate
- IUPAC
- propan-2-yl 2-(3-formylindol-1-yl)acetate
- English name
- CHEMBRDG-BB 7865272
- Molecular formula
- C14H15NO3
- Molecular weight
- 245.27
Names & synonyms
708991-26-8ISOPROPYL (3-FORMYL-1H-INDOL-1-YL)ACETATEIsopropyl 2-(3-formyl-1H-indol-1-yl)acetateMFCD05815946propan-2-yl 2-(3-formylindol-1-yl)acetatepropan-2-yl (3-formyl-1H-indol-1-yl)acetateisopropyl(3-formyl-1h-indol-1-yl)acetateISOPROPYL 2-(3-FORMYLINDOL-1-YL)ACETATESCHEMBL8265340DTXSID60359208STL381191AKOS000103907
Show more names
AKOS BB882CHEMBRDG-BB 78652721H-Indole-1-acetic acid, 3-formyl-, 1-methylethyl esterisopropyl (3-formyl-1H-indol-1-yl)acetate(SALTDATA: FREE)
BS-36344DB-209006CS-0326575Isopropyl2-(3-formyl-1H-indol-1-yl)acetateF315570SR-01000281041SR-01000281041-1
Database identifiers
- CAS
708991-26-8- PubChem CID
- 952015
- DTXSID
DTXSID60359208
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 48.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Boiling point
- 401.4 · 401.4±25.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(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
Chemistry & industry
Suppliers2 total
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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