Home > Compound List > Compound details
7467-91-6 molecular structure
click picture or here to close

quinoxalin-6-ol

ChemBase ID: 244446
Molecular Formular: C8H6N2O
Molecular Mass: 146.14604
Monoisotopic Mass: 146.04801282
SMILES and InChIs

SMILES:
c12cc(ccc2nccn1)O
Canonical SMILES:
Oc1ccc2c(c1)nccn2
InChI:
InChI=1S/C8H6N2O/c11-6-1-2-7-8(5-6)10-4-3-9-7/h1-5,11H
InChIKey:
RQPVXTQTNVVKEJ-UHFFFAOYSA-N

Cite this record

CBID:244446 http://www.chembase.cn/molecule-244446.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
quinoxalin-6-ol
IUPAC Traditional name
quinoxalin-6-ol
Synonyms
quinoxalin-6-ol
CAS Number
7467-91-6
MDL Number
MFCD07364440
PubChem SID
164300356
PubChem CID
343966

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 343966 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.677005  H Acceptors
H Donor LogD (pH = 5.5) 0.9950324 
LogD (pH = 7.4) 0.9732885  Log P 0.995513 
Molar Refractivity 39.4313 cm3 Polarizability 16.666811 Å3
Polar Surface Area 46.01 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
225 - 227°C expand Show data source
Hydrophobicity(logP)
1.581 expand Show data source
Purity
95% expand Show data source
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle