NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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IUPAC Traditional name
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Synonyms
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1,3-Cyclohexanedione
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1,3-Cyclohexandione
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Dihydro-1,3-benzenediol
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Hydroresorcinol
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NSC 57477
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1,3-Cyclohexanedione
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Dihydroresorcinol
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1,3-Dioxocyclohexane
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Cyclohexane-1,3-dione
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二氢间苯二酚
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1,3-环己二酮
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CAS Number
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EC Number
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MDL Number
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Beilstein Number
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Merck Index
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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8.145196
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H Acceptors
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2
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H Donor
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0
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LogD (pH = 5.5)
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0.8199296
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LogD (pH = 7.4)
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0.7491514
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Log P
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0.82091093
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Molar Refractivity
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28.9406 cm3
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Polarizability
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11.225105 Å3
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Polar Surface Area
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34.14 Å2
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Rotatable Bonds
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0
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
MP Biomedicals
Apollo Scientific
Sigma Aldrich
TRC
MP Biomedicals -
02150744
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Purity: ~97% Contains 3% NaCl as stabilizer. Reagent for fluorometric determination of aliphatic aldehydes. |
Sigma Aldrich -
C101605
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Application Used to prepare 2-substituted adducts, which are important intermediates for the synthesis of spirocyclopentanols,1 oxathioles,2 and triquinanes.3 Packaging 5, 100, 500 g in glass bottle |
PATENTS
PATENTS
PubChem Patent
Google Patent