Basic information
- CAS
57434-92-1- Standard SMILES
O=C(O)Cc1ccc(O)c2ncccc12- InChIKey
CJSVAYGVUXBHLS-UHFFFAOYSA-N- Molecular formula
- C11H9NO3
- Average molar mass
- 203.19 g/mol
- Monoisotopic mass
- 203.05824315
Names & identifiers
- Preferred name
- 5-Quinolineacetic acid, 8-hydroxy-
- IUPAC
- 2-(8-hydroxyquinolin-5-yl)acetic acid
- English name
- 5-Quinolineaceticacid,8-hydroxy-(9CI)
- Molecular formula
- C11H9NO3
- Molecular weight
- 203.19
Names & synonyms
57434-92-15-Quinolineacetic acid, 8-hydroxy-DTXSID00424308RefChem:304868DTXCID803751422-(8-hydroxyquinolin-5-yl)acetic acid(8-Hydroxy-5-quinolinyl)acetic acid2-(8-hydroxy-5-quinolyl)acetic acidCHEMBL3273856SCHEMBL101570462-(8-hydroxyquinolin-5-yl)aceticacidAKOS015951434
Show more names
5-Quinolineacetic acid, 8-hydroxy5-Quinolineaceticacid,8-hydroxy-(9CI)
SB69468DB-325423(8-HYDROXYQUINOLIN-5-YL)ACETIC ACIDCS-0364736AM-814/41094108F755290
Database identifiers
- CAS
57434-92-1- PubChem CID
- 6481997
- DTXSID
DTXSID00424308- ChEMBL
CHEMBL3273856- EC Number
- 986-961-5
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Boiling point
- 469.5 · 469.5±30.0 °C(Predicted)
- Density
- 1.424 · 1.424±0.06 g/cm3(Predicted)
- pka
- 3.78 · 3.78±0.30(Predicted)
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%)
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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