8-Methylcinnoline-3-carboxylic acid
Basic information
- CAS
1146294-36-1- Standard SMILES
Cc1cccc2cc(C(=O)O)nnc12- InChIKey
NGXBNUBKGNITKG-UHFFFAOYSA-N- Molecular formula
- C10H8N2O2
- Average molar mass
- 188.18 g/mol
- Monoisotopic mass
- 188.0585775
Names & identifiers
- Preferred name
- 8-Methylcinnoline-3-carboxylic acid
- IUPAC
- 8-methylcinnoline-3-carboxylic acid
Names & synonyms
8-METHYLCINNOLINE-3-CARBOXYLIC ACID1146294-36-1RefChem:548286838-493-78-methylcinnoline-3-carboxylicacidWVB29436EN300-7424996
Database identifiers
- CAS
1146294-36-1- PubChem CID
- 39733336
- EC Number
- 838-493-7
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 232
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%)
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Related reactions
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Compound notes
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