2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetic acid
Basic information
- CAS
60705-96-6- Standard SMILES
O=C(O)CN1C(=O)C(=O)c2ccccc21- InChIKey
KYAMYNWIAQNFEG-UHFFFAOYSA-N- Molecular formula
- C10H7NO4
- Average molar mass
- 205.17 g/mol
- Monoisotopic mass
- 205.0375077
Names & identifiers
- Preferred name
- 2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetic acid
- IUPAC
- 2-(2,3-dioxoindol-1-yl)acetic acid
- English name
- (2,3-Dioxo-2,3-dihydro-indol-1-yl)-acetic acid
- Molecular formula
- C10H7NO4
- Molecular weight
- 205.17
Names & synonyms
2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetic acidRefChem:451854833-295-760705-96-6(2,3-Dioxo-2,3-dihydro-indol-1-yl)-acetic acid2-(2,3-dioxoindolin-1-yl)acetic acid(2,3-Dioxo-2,3-dihydro-1H-indol-1-yl)acetic acid2-(2,3-dioxoindol-1-yl)acetic acidMFCD000229202,3-Dioxo-1-indolineacetic acid1H-Indole-1-acetic acid, 2,3-dihydro-2,3-dioxo-1-Indolineacetic acid, 2,3-dioxo-
Show more names
CBI-BB ZERO/001450TIMTEC-BB SBB0016922,3-dioxo-1-indolineaceticaci2,3-dioxo-indoline-1-aceticaci2-(2,3-dioxo-1-indolyl)acetate2,3-Dioxoindoline-1-acetic acid2,3-dihydro-2,3-dioxo-1h-indole-1-aceticaci2,3-dihydro-2,3-dioxo-1h-indole-1-aceticacid
ISATIN-N-ACETIC ACIDINDOLINE-1-ACETIC ACID, 2,3-DIOXO-2-(2,3-dioxobenzo[d]azolidinyl)acetic acidBRN 0184008Isatinessigsaure(2,3-dioxo-2,3-dihydro-indol-1-yl)acetic acid2,3-Dihydro-2,3-dioxo-1H-indole-1-acetic acidNSC523893
Database identifiers
- CAS
60705-96-6- PubChem CID
- 43402
- DTXSID
DTXSID40209530- ChEMBL
CHEMBL222989- EC Number
- 833-295-7
- Nikkaji
- J68.725A
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 325
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Appearance
- Yellow to orange Solid
- Symbol(GHS)
- 6 · GHS06,GHS07
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
- Hazard Codes
- Xi,T
- Risk Statements
- 25 · 25-36
- Safety Statements
- 26 · 26-45
- 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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 25-36
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS07
- hazard_code
- Xi,T
- safety_code
- 26-45
- hazard_class
- IRRITANT
- Hazard statements
- H301-H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
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Related reactions
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Compound notes
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