Basic information
- CAS
1227954-70-2- Standard SMILES
COC(=O)CCn1cc(C=O)c2ccccc21- InChIKey
LOILJMOUXOONPO-UHFFFAOYSA-N- Molecular formula
- C13H13NO3
- Average molar mass
- 231.25 g/mol
- Monoisotopic mass
- 231.08954328
Names & identifiers
- Preferred name
- Methyl 3-(3-formyl-1H-indol-1-yl)propanoate
- IUPAC
- methyl 3-(3-formylindol-1-yl)propanoate
- English name
- Methyl 3-(3-formyl-1H-indol-1-yl)propanoate
- Molecular formula
- C13H13NO3
- Molecular weight
- 231.25
Names & synonyms
Methyl 3-(3-formyl-1H-indol-1-yl)propanoate1227954-70-2methyl 3-(3-formylindol-1-yl)propanoateMFCD11111410AKOS013809126AS-8805CS-0321159Methyl3-(3-formyl-1H-indol-1-yl)propanoate1H-Indole-1-propanoic acid, 3-formyl-, methyl ester
Database identifiers
- CAS
1227954-70-2- PubChem CID
- 64485124
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 48.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Boiling point
- 407.4 · 407.4±25.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- 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
Chemistry & industry
Suppliers1 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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