2-Oxo-3-(quinolin-2-yl)propanoic acid
Basic information
- CAS
500293-88-9- Standard SMILES
O=C(O)C(=O)Cc1ccc2ccccc2n1- InChIKey
PBCZPMGLYKFSIF-UHFFFAOYSA-N- Molecular formula
- C12H9NO3
- Average molar mass
- 215.2 g/mol
- Monoisotopic mass
- 215.05824315
Names & identifiers
- Preferred name
- 2-Oxo-3-(quinolin-2-yl)propanoic acid
- IUPAC
- 2-oxo-3-quinolin-2-ylpropanoic acid
Names & synonyms
2-oxo-3-(quinolin-2-yl)propanoic acid500293-88-9RefChem:477737845-022-92-oxo-3-quinolin-2-ylpropanoic acid2-Quinolinepyruvic acidNCIOpen2_005116SCHEMBL28635312AVA29388NSC86594NSC-86594AKOS009119096
Show more names
2-oxo-3-(quinolin-2-yl)propanoicacidCS-0244130EN300-27241G20006
Database identifiers
- CAS
500293-88-9- PubChem CID
- 257964
- EC Number
- 845-022-9
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 290
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%)
Suppliers
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Related reactions
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Compound notes
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