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31570-97-5 molecular structure
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5-hydroxy-1,2-dihydroquinolin-2-one

ChemBase ID: 43388
Molecular Formular: C9H7NO2
Molecular Mass: 161.15738
Monoisotopic Mass: 161.04767847
SMILES and InChIs

SMILES:
[nH]1c2c(ccc1=O)c(O)ccc2
Canonical SMILES:
O=c1ccc2c([nH]1)cccc2O
InChI:
InChI=1S/C9H7NO2/c11-8-3-1-2-7-6(8)4-5-9(12)10-7/h1-5,11H,(H,10,12)
InChIKey:
XOXGLLQTNQBDKL-UHFFFAOYSA-N

Cite this record

CBID:43388 http://www.chembase.cn/molecule-43388.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-hydroxy-1,2-dihydroquinolin-2-one
IUPAC Traditional name
5-hydroxy-2-quinolone
Synonyms
1,2-Dihydro-5-hydroxy-2-oxoquinoline
5-Hydroxy-quinolin-2(1H)-one
5-Hydroxy-2(1H)-quinolone
5-Hydroxycarbostyril
5-Hydroxyquinolin-2(1H)-one
NSC 134652
5-Hydroxyquinolin-2(1H)-one
5-Hydroxy-2(1H)-quinolinone
CAS Number
31570-97-5
MDL Number
MFCD02181132
PubChem SID
162048151
PubChem CID
5382213

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.032002  H Acceptors
H Donor LogD (pH = 5.5) 1.2934502 
LogD (pH = 7.4) 1.2836229  Log P 1.2935771 
Molar Refractivity 47.2601 cm3 Polarizability 16.758617 Å3
Polar Surface Area 49.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dimethyl Sulfoxide expand Show data source
Methanol expand Show data source
Apperance
Off-white Solid expand Show data source
Melting Point
> 300 °C expand Show data source
>300°C expand Show data source
Storage Warning
Harmful/Irritant expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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