2-(Quinolin-5-yl)acetic acid

HCID 20533909

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Basic information

CAS: 152150-03-3
Standard SMILES: O=C(O)Cc1cccc2ncccc12
InChIKey: JFWDAGJPWJVGFG-UHFFFAOYSA-N
Molecular formula: C11H9NO2
Average molar mass: 187.19 g/mol
Monoisotopic mass: 187.06332853

Names & identifiers

Preferred name: 2-(Quinolin-5-yl)acetic acid
IUPAC: 2-quinolin-5-ylacetic acid
English name: 2-(Quinolin-5-yl)acetic acid
Molecular formula: C11H9NO2
Molecular weight: 187.19

Names & synonyms

2-(QUINOLIN-5-YL)ACETIC ACIDRefChem:462258852-904-7152150-03-32-quinolin-5-ylacetic acidMFCD099250745-Quinolineacetic acid(Quinolin-5-yl)acetic acid2-(5-quinolyl)acetic acidSCHEMBL3720399DTXSID30608437JFWDAGJPWJVGFG-UHFFFAOYSA-N

Show more names

RARECHEM AL MS 0477quinolin-5-ylacetic acid

2-(QUINOLIN-5-YL)ACETICACIDAKOS006310954SB68097DB-140019CS-0447007EN300-173710F97337Z1198264558

Database identifiers

CAS: 152150-03-3
PubChem CID: 20533909
DTXSID: DTXSID30608437
EC Number: 852-904-7

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 50.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 217

Physicochemical properties

Melting point: 207 °C · 207 °C
Boiling point: 388.8 · 388.8±17.0 °C(Predicted)
Density: 1.297 · 1.297±0.06 g/cm3(Predicted)
pka: 3.46 · 3.46±0.30(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

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.