Ethyl 7-oxo-1,4,5,6-tetrahydroindole-2-carboxylate

HCID 848532

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Basic information

CAS: 119647-73-3
Standard SMILES: CCOC(=O)c1cc2c([nH]1)C(=O)CCC2
InChIKey: FRUNPDDVIUSYEQ-UHFFFAOYSA-N
Molecular formula: C11H13NO3
Average molar mass: 207.23 g/mol

Names & identifiers

Preferred name: Ethyl 7-oxo-1,4,5,6-tetrahydroindole-2-carboxylate
IUPAC: ethyl 7-oxo-1,4,5,6-tetrahydroindole-2-carboxylate
English name: ethyl 7-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Molecular formula: C11H13NO3
Molecular weight: 207.23

Names & synonyms

119647-73-3ethyl 7-oxo-1,4,5,6-tetrahydroindole-2-carboxylateRefChem:596036814-767-1ethyl 7-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylateMFCD038658931H-Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-7-oxo-, ethyl esterAKOS027253869ethyl 1,4,5,6-tetrahydro-7-oxo-7H-indole-2-carboxylateSCHEMBL1160043FRUNPDDVIUSYEQ-UHFFFAOYSA-NCS-W020461

Show more names

ethyl 4,5,6,7-tetrahydro-7-oxo-1H-indole-2-carboxylate4,5,6,7-tetrahydro-7-oxo-1H-Indole-2-carboxylic acid ethyl ester

AS-32924DA-33945SY242033AO-192/41883620F467030Ethyl7-Oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate1H-Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-7-oxo-, e

Database identifiers

CAS: 119647-73-3
PubChem CID: 848532
EC Number: 814-767-1
Nikkaji: J645.873D

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 59.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 277

Physicochemical properties

storage temp.: 2 · 2-8°C
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H317
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, 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 CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H317
Precautionary statements: P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501