Basic information
- CAS
219568-43-1- Standard SMILES
CCOC(=O)c1n[nH]c2ccccc2c1=O- InChIKey
GKZADQFFKFUDKN-UHFFFAOYSA-N- Molecular formula
- C11H10N2O3
- Average molar mass
- 218.21 g/mol
- Monoisotopic mass
- 218.06914219
Names & identifiers
- Preferred name
- Ethyl 4-oxo-1,4-dihydrocinnoline-3-carboxylate
- IUPAC
- ethyl 4-oxo-1H-cinnoline-3-carboxylate
Names & synonyms
ethyl 4-oxo-1,4-dihydrocinnoline-3-carboxylate219568-43-1RefChem:595484824-516-8Ethyl 4-hydroxycinnoline-3-carboxylate37967-71-8ethyl 4-oxo-1H-cinnoline-3-carboxylateSCHEMBL3716680SCHEMBL10861354GKZADQFFKFUDKN-UHFFFAOYSA-NUIA56843AKOS013101591
Show more names
AKOS040713363CS-0259848EN300-74283ethyl4-oxo-1,4-dihydrocinnoline-3-carboxylateG20959Z11670445094-oxo-1,4-dihydrocinnoline-3-carboxylic acid ethyl ester
Database identifiers
- CAS
219568-43-1- PubChem CID
- 23320177
- EC Number
- 824-516-8
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 338
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Related reactions
4 records
Compound notes
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