Home > Compound List > Compound details
31910-18-6 molecular structure
click picture or here to close

6-methoxyquinoxaline-2,3-diol

ChemBase ID: 75271
Molecular Formular: C9H8N2O3
Molecular Mass: 192.17142
Monoisotopic Mass: 192.05349213
SMILES and InChIs

SMILES:
n1c(c(nc2cc(ccc12)OC)O)O
Canonical SMILES:
COc1ccc2c(c1)nc(c(n2)O)O
InChI:
InChI=1S/C9H8N2O3/c1-14-5-2-3-6-7(4-5)11-9(13)8(12)10-6/h2-4H,1H3,(H,10,12)(H,11,13)
InChIKey:
CHTYMWBYHAIEOF-UHFFFAOYSA-N

Cite this record

CBID:75271 http://www.chembase.cn/molecule-75271.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methoxyquinoxaline-2,3-diol
IUPAC Traditional name
6-methoxyquinoxaline-2,3-diol
Synonyms
2,3-Dihydroxy-6-methoxyquinoxaline
CAS Number
31910-18-6
MDL Number
MFCD01825248
PubChem SID
162040189
PubChem CID
698550

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR11162 external link Add to cart Please log in.
Data Source Data ID
PubChem 698550 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.357371  H Acceptors
H Donor LogD (pH = 5.5) 1.7231904 
LogD (pH = 7.4) 1.7231443  Log P 1.7231915 
Molar Refractivity 48.5024 cm3 Polarizability 19.79181 Å3
Polar Surface Area 75.47 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant 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