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3617-57-0 molecular structure
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cyclopentane-1,2,3,4,5-pentone

ChemBase ID: 126813
Molecular Formular: C5O5
Molecular Mass: 140.0505
Monoisotopic Mass: 139.9745731
SMILES and InChIs

SMILES:
O=C1C(=O)C(=O)C(=O)C1=O
Canonical SMILES:
O=C1C(=O)C(=O)C(=O)C1=O
InChI:
InChI=1S/C5O5/c6-1-2(7)4(9)5(10)3(1)8
InChIKey:
YVVXMBHAKNKELS-UHFFFAOYSA-N

Cite this record

CBID:126813 http://www.chembase.cn/molecule-126813.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
cyclopentane-1,2,3,4,5-pentone
IUPAC Systematic name
Cyclopentane-1,2,3,4,5-pentone
IUPAC Traditional name
cyclopentanepentone
Synonyms
Leuconic acid
Cyclopentanepentone
CAS Number
3617-57-0
PubChem SID
162221140
PubChem CID
12305030
Chemspider ID
16788087
Wikipedia Title
Cyclopentanepentone

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4460983  LogD (pH = 7.4) 1.4460983 
Log P 1.4460983  Molar Refractivity 26.73 cm3
Polarizability 9.986766 Å3 Polar Surface Area 85.35 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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