Home > Compound List > Compound details
710-43-0 molecular structure
click picture or here to close

1,2-diethyl (1R,2S)-cyclopropane-1,2-dicarboxylate

ChemBase ID: 52747
Molecular Formular: C9H14O4
Molecular Mass: 186.20506
Monoisotopic Mass: 186.08920893
SMILES and InChIs

SMILES:
C1[C@@H]([C@@H]1C(=O)OCC)C(=O)OCC
Canonical SMILES:
CCOC(=O)[C@@H]1C[C@@H]1C(=O)OCC
InChI:
InChI=1S/C9H14O4/c1-3-12-8(10)6-5-7(6)9(11)13-4-2/h6-7H,3-5H2,1-2H3/t6-,7+
InChIKey:
SXLDHZFJMXLFJU-KNVOCYPGSA-N

Cite this record

CBID:52747 http://www.chembase.cn/molecule-52747.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-diethyl (1R,2S)-cyclopropane-1,2-dicarboxylate
IUPAC Traditional name
1,2-diethyl (1R,2S)-cyclopropane-1,2-dicarboxylate
Synonyms
Diethyl cis-cyclopropane-1,2-dicarboxylate
CAS Number
710-43-0
MDL Number
MFCD14525685
PubChem SID
162057510
PubChem CID
642980

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
057429 external link Add to cart Please log in.
Data Source Data ID
PubChem 642980 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.78459907  LogD (pH = 7.4) 0.78459907 
Log P 0.78459907  Molar Refractivity 45.3182 cm3
Polarizability 18.185108 Å3 Polar Surface Area 52.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
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