Ethyl 4-hydroxy-7,8-dimethylquinoline-3-carboxylate
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Basic information
- CAS
53164-33-3- Standard SMILES
CCOC(=O)c1c[nH]c2c(C)c(C)ccc2c1=O- InChIKey
OEUFVSIWKSCSMJ-UHFFFAOYSA-N- Molecular formula
- C14H15NO3
- Average molar mass
- 245.27 g/mol
- Monoisotopic mass
- 245.10519334
Names & identifiers
- Preferred name
- Ethyl 4-hydroxy-7,8-dimethylquinoline-3-carboxylate
- IUPAC
- ethyl 7,8-dimethyl-4-oxo-1H-quinoline-3-carboxylate
- English name
- 4-HYDROXY-7,8-DIMETHYL-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
- Molecular formula
- C14H15NO3
- Molecular weight
- 245.27
Names & synonyms
ethyl 4-hydroxy-7,8-dimethylquinoline-3-carboxylate53164-33-3ethyl 7,8-dimethyl-4-oxo-1H-quinoline-3-carboxylateEthyl 7,8-dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylateMFCD00665075ethyl 7,8-dimethyl-4-oxohydroquinoline-3-carboxylate7,8-DIMETHYL-4-HYDROXYQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTEROprea1_765048DTXSID70351571ETHYL4-HYDROXY-7,8-DIMETHYLQUINOLINE-3-CARBOXYLATESBB016292STK034781
Show more names
SPECS AG-670/25097012ETHYL 4-HYDROXY-7,8-DIMETHYL-3-QUINOLINECARBOXYLATE4-HYDROXY-7,8-DIMETHYL-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER3-Quinolinecarboxylic acid, 4-hydroxy-7,8-dimethyl-, ethyl ester
AKOS000273780AKOS001668336AB06680SDCCGSBI-0660101.P001DB-071634CS-0453309EU-0079968ST50208185
Database identifiers
- CAS
53164-33-3- PubChem CID
- 703755
- DTXSID
DTXSID70351571
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 389
Physicochemical properties
- Boiling point
- 373.1 · 373.1±37.0 °C(Predicted)
- Density
- 1.213 · 1.213±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- solid
- pka
- 2.88 · 2.88±0.50(Predicted)
- InChI
- 1S/C14H15NO3/c1-4-18-14(17)11-7-15-12-9(3)8(2)5-6-10(12)13(11)16/h5-7H,4H2,1-3H3,(H,15,16)
- InChIKey
- OEUFVSIWKSCSMJ-UHFFFAOYSA-N
- SMILES
- O=C1C(C(OCC)=O)=CNC2=C(C)C(C)=CC=C12
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- WGK Germany
- 3 · WGK 3
- HS Code
- 2933499090 · 2933499090
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- hs_code
- 2933499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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