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3885-29-8 molecular structure
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methyl 5-oxooxolane-2-carboxylate

ChemBase ID: 796721
Molecular Formular: C6H8O4
Molecular Mass: 144.12532
Monoisotopic Mass: 144.04225874
SMILES and InChIs

SMILES:
O1C(CCC1=O)C(=O)OC
Canonical SMILES:
COC(=O)C1CCC(=O)O1
InChI:
InChI=1S/C6H8O4/c1-9-6(8)4-2-3-5(7)10-4/h4H,2-3H2,1H3
InChIKey:
AFHPZLNLFDYSTG-UHFFFAOYSA-N

Cite this record

CBID:796721 http://www.chembase.cn/molecule-796721.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 5-oxooxolane-2-carboxylate
IUPAC Traditional name
methyl 5-oxooxolane-2-carboxylate
Synonyms
Methyl 5-oxotetrahydrofuran-2-carboxylate
CAS Number
3885-29-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O4044 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O4044 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.014615042  LogD (pH = 7.4) -0.014615042 
Log P -0.014615042  Molar Refractivity 30.9071 cm3
Polarizability 12.73627 Å3 Polar Surface Area 52.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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