Home > Compound List > Compound details
51690-26-7 molecular structure
click picture or here to close

2-oxo-2H-chromene-6-carbaldehyde

ChemBase ID: 10143
Molecular Formular: C10H6O3
Molecular Mass: 174.15284
Monoisotopic Mass: 174.03169405
SMILES and InChIs

SMILES:
o1c(=O)ccc2c1ccc(c2)C=O
Canonical SMILES:
O=Cc1ccc2c(c1)ccc(=O)o2
InChI:
InChI=1S/C10H6O3/c11-6-7-1-3-9-8(5-7)2-4-10(12)13-9/h1-6H
InChIKey:
RQCHYJGDSCWRSQ-UHFFFAOYSA-N

Cite this record

CBID:10143 http://www.chembase.cn/molecule-10143.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-oxo-2H-chromene-6-carbaldehyde
IUPAC Traditional name
2-oxochromene-6-carbaldehyde
Synonyms
Coumarin-6-carboxaldehyde
CAS Number
51690-26-7
MDL Number
MFCD01941322
PubChem SID
160973450
PubChem CID
2735831

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2735831 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.495862  LogD (pH = 7.4) 1.495862 
Log P 1.495862  Molar Refractivity 48.1326 cm3
Polarizability 17.60203 Å3 Polar Surface Area 43.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
192-194°C expand Show data source
Storage Warning
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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