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15450-76-7 molecular structure
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8-hydroxy-1,2-dihydroquinolin-2-one

ChemBase ID: 287075
Molecular Formular: C9H7NO2
Molecular Mass: 161.15738
Monoisotopic Mass: 161.04767847
SMILES and InChIs

SMILES:
c1cc2c([nH]c(=O)cc2)c(c1)O
Canonical SMILES:
O=c1ccc2c([nH]1)c(O)ccc2
InChI:
InChI=1S/C9H7NO2/c11-7-3-1-2-6-4-5-8(12)10-9(6)7/h1-5,11H,(H,10,12)
InChIKey:
ZXZKYYHTWHJHFT-UHFFFAOYSA-N

Cite this record

CBID:287075 http://www.chembase.cn/molecule-287075.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-hydroxy-1,2-dihydroquinolin-2-one
IUPAC Traditional name
8-hydroxyquinolin-2(1H)-one
Synonyms
2,8-Dihydroxyquinoline
CAS Number
15450-76-7
MDL Number
MFCD00216696
PubChem SID
180672606
PubChem CID
97250

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD11586 Please log in.
Data Source Data ID
PubChem 97250 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.693051  H Acceptors
H Donor LogD (pH = 5.5) 1.2933005 
LogD (pH = 7.4) 1.2721508  Log P 1.2935771 
Molar Refractivity 47.2601 cm3 Polarizability 16.758451 Å3
Polar Surface Area 49.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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