Basic information
- CAS
883-18-1- Standard SMILES
Cn1nc(C(=O)O)c(=O)c2ccccc21- InChIKey
MRKGRJJAAGFLFT-UHFFFAOYSA-N- Molecular formula
- C10H8N2O3
- Average molar mass
- 204.18 g/mol
- Monoisotopic mass
- 204.05349212
Names & identifiers
- Preferred name
- 1-Methyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid
- IUPAC
- 1-methyl-4-oxocinnoline-3-carboxylic acid
Names & synonyms
1-methyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid883-18-1RefChem:434391856-659-71-methyl-4-oxocinnoline-3-carboxylic acid1,4-Dihydro-1-methylcinnolin-4-oxo-3-carboxylic acidSCHEMBL7299469MRKGRJJAAGFLFT-UHFFFAOYSA-NAAA88318AKOS022667467EN300-74817G45318
Show more names
1-methyl-4-oxo-1,4-dihydrocinnoline-3-carboxylicacidZ11711948491-Methyl-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid #
Database identifiers
- CAS
883-18-1- PubChem CID
- 569031
- EC Number
- 856-659-7
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 338
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)
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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