Home > Compound List > Compound details
508-44-1 molecular structure
click picture or here to close

1,7-dioxadispiro[4.0.46.25]dodeca-3,9-diene-2,8-dione

ChemBase ID: 125863
Molecular Formular: C10H8O4
Molecular Mass: 192.16812
Monoisotopic Mass: 192.04225874
SMILES and InChIs

SMILES:
O=C1OC2(C=C1)C1(OC(=O)C=C1)CC2
Canonical SMILES:
O=C1C=CC2(O1)CCC12C=CC(=O)O1
InChI:
InChI=1S/C10H8O4/c11-7-1-3-9(13-7)5-6-10(9)4-2-8(12)14-10/h1-4H,5-6H2
InChIKey:
JLUQTCXCAFSSLD-UHFFFAOYSA-N

Cite this record

CBID:125863 http://www.chembase.cn/molecule-125863.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,7-dioxadispiro[4.0.46.25]dodeca-3,9-diene-2,8-dione
IUPAC Traditional name
anemonin
Synonyms
Anemonin
CAS Number
508-44-1
PubChem SID
162220208
PubChem CID
10496
Chemspider ID
10064
Wikipedia Title
Anemonin

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2745752  LogD (pH = 7.4) 1.2745752 
Log P 1.2745752  Molar Refractivity 47.1864 cm3
Polarizability 18.093113 Å3 Polar Surface Area 52.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Solubility
low in water expand Show data source
soluble in chloroform expand Show data source
Apperance
Colourless, odourless solid expand Show data source
Melting Point
158 °C expand Show data source
Boiling Point
535.7 °C @ 760mmHg expand Show data source
Flash Point
300.7 °C expand Show data source
Density
1.45g/cm3 expand Show data source
LD50
150 mg·kg-1 (mouse, i. p.) expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

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