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10493-98-8 molecular structure
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2-hydroxycyclopent-2-en-1-one

ChemBase ID: 288674
Molecular Formular: C5H6O2
Molecular Mass: 98.09994
Monoisotopic Mass: 98.03677943
SMILES and InChIs

SMILES:
O=C1C(=CCC1)O
Canonical SMILES:
O=C1CCC=C1O
InChI:
InChI=1S/C5H6O2/c6-4-2-1-3-5(4)7/h2,6H,1,3H2
InChIKey:
WOPKYMRPOKFYNI-UHFFFAOYSA-N

Cite this record

CBID:288674 http://www.chembase.cn/molecule-288674.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-hydroxycyclopent-2-en-1-one
IUPAC Traditional name
2-hydroxycyclopent-2-en-1-one
Synonyms
2-Hydroxycyclopent-2-en-1-one
CAS Number
10493-98-8
PubChem SID
180674205
PubChem CID
82674

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD211299 Please log in.
Data Source Data ID
PubChem 82674 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.421833  H Acceptors
H Donor LogD (pH = 5.5) 0.5227394 
LogD (pH = 7.4) 0.5186821  Log P 0.5227914 
Molar Refractivity 26.7071 cm3 Polarizability 9.687176 Å3
Polar Surface Area 37.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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