2,3-Dihydro-1-methyl-2-oxo-1H-indole-5-carboxylic acid
Basic information
- CAS
167627-05-6- Standard SMILES
CN1C(=O)Cc2cc(C(=O)O)ccc21- InChIKey
FBTOSQDXUJQZTF-UHFFFAOYSA-N- Molecular formula
- C10H9NO3
- Average molar mass
- 191.18 g/mol
- Monoisotopic mass
- 191.05824315
Names & identifiers
- Preferred name
- 2,3-Dihydro-1-methyl-2-oxo-1H-indole-5-carboxylic acid
- IUPAC
- 1-methyl-2-oxo-3H-indole-5-carboxylic acid
- English name
- 1-methyl-2-oxoindoline-5-carboxylic acid
- Molecular formula
- C10H9NO3
- Molecular weight
- 191.18
Names & synonyms
167627-05-62,3-Dihydro-1-methyl-2-oxo-1H-indole-5-carboxylic acidRefChem:2447211-methyl-2-oxo-2,3-dihydro-1H-indole-5-carboxylic acid1-Methyl-2-oxoindoline-5-carboxylic acidMFCD100062421-methyl-2-oxo-3H-indole-5-carboxylic acid1-methyl-oxindole-5-carboxylic acidSCHEMBL1965892SCHEMBL31348187FBTOSQDXUJQZTF-UHFFFAOYSA-NDTXSID101210473
Show more names
1H-Indole-5-carboxylic acid, 2,3-dihydro-1-methyl-2-oxo-
SGA62705AKOS009158463SB10310NS-01785SY5819381-methyl-2-oxo-indoline-5-carboxylic acidCS-0052454EN300-118349
Database identifiers
- CAS
167627-05-6- PubChem CID
- 21998747
- DTXSID
DTXSID101210473- EC Number
- 976-691-6
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Boiling point
- 512.1 · 512.1±50.0 °C(Predicted)
- Density
- 1.379 · 1.379±0.06 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 3.9 · 3.90±0.20(Predicted)
- Appearance
- brown solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…