Home > Compound List > Compound details
68922-87-2 molecular structure
click picture or here to close

sodium 1,3-diethoxy-2-(ethoxycarbonyl)-1,3-dioxopropan-2-ide

ChemBase ID: 178822
Molecular Formular: C10H15NaO6
Molecular Mass: 254.21227
Monoisotopic Mass: 254.07663248
SMILES and InChIs

SMILES:
C(=O)(OCC)[C-](C(=O)OCC)C(=O)OCC.[Na+]
Canonical SMILES:
CCOC(=O)[C-](C(=O)OCC)C(=O)OCC.[Na+]
InChI:
InChI=1S/C10H15O6.Na/c1-4-14-8(11)7(9(12)15-5-2)10(13)16-6-3;/h4-6H2,1-3H3;/q-1;+1
InChIKey:
UKWMITKBVUKHDA-UHFFFAOYSA-N

Cite this record

CBID:178822 http://www.chembase.cn/molecule-178822.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium 1,3-diethoxy-2-(ethoxycarbonyl)-1,3-dioxopropan-2-ide
IUPAC Traditional name
sodium 1,3-diethoxy-2-(ethoxycarbonyl)-1,3-dioxopropan-2-ide
Synonyms
Sodium Triethyl Methanetricarboxylate
Methanetricarboxylic Acid Triethyl EsterSodium
Triethyl Sodium Methanetricarboxylate
CAS Number
68922-87-2
PubChem SID
164234732
PubChem CID
4691621

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC T778250 external link Add to cart
PubChem 4691621 external link
Data Source Data ID Price
TRC
T778250 external link Add to cart Please log in.
Data Source Data ID
PubChem 4691621 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.862826  H Acceptors
H Donor LogD (pH = 5.5) 0.8933798 
LogD (pH = 7.4) 0.27555352  Log P 0.91166764 
Molar Refractivity 52.711 cm3 Polarizability 21.486036 Å3
Polar Surface Area 78.9 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Water expand Show data source
Apperance
White Solid expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download 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