Basic information
- CAS
239135-37-6- Standard SMILES
O=C(O)CCCC(=O)N1CCc2ccccc21- InChIKey
WLWDQZUQQAIPLT-UHFFFAOYSA-N- Molecular formula
- C13H15NO3
- Average molar mass
- 233.26 g/mol
- Monoisotopic mass
- 233.10519334
Names & identifiers
- Preferred name
- 5-(2,3-dihydro-1H-indol-1-yl)-5-oxopentanoic acid
- IUPAC
- 5-(2,3-dihydroindol-1-yl)-5-oxopentanoic acid
- English name
- 5-(2,3-Dihydro-indol-1-yl)-5-oxo-pentanoic acid
- Molecular formula
- C13H15NO3
- Molecular weight
- 233.26
Names & synonyms
239135-37-65-(2,3-dihydro-1H-indol-1-yl)-5-oxopentanoic acidDTXSID20353661RefChem:299297DTXCID703047245-(Indolin-1-yl)-5-oxopentanoic acid5-(2,3-dihydroindol-1-yl)-5-oxopentanoic acid5-(2,3-dihydroindol-1-yl)-5-oxo-pentanoic acid5-(2,3-Dihydro-indol-1-yl)-5-oxo-pentanoic acidMFCD005611005-indolinyl-5-oxopentanoic acidChemDiv2_000736
Show more names
TIMTEC-BB SBB0116641-(4-CARBOXYBUTYRYL) INDOLINE1H-Indole-1-pentanoic acid, 2,3-dihydro-δ-oxo-
Cambridge id 5215246Oprea1_302751Oprea1_719607CBDivE_0043771-(4-carboxybutanoyl)indolineHMS1371B10ALBB-005240SBB011664
Database identifiers
- CAS
239135-37-6- PubChem CID
- 747641
- DTXSID
DTXSID20353661
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Boiling point
- 518.4 · 518.4±43.0 °C(Predicted)
- Density
- 1.26 · 1.260±0.06 g/cm3(Predicted)
- pka
- 4 · 4+-.0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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