NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(3E)-4-(3,4-dihydroxyphenyl)but-3-en-2-one
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IUPAC Traditional name
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(3E)-4-(3,4-dihydroxyphenyl)but-3-en-2-one
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Synonyms
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ZN-2
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(E)-4-(3,4-Dihydroxyphenyl)-3-buten-2-one
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(E)-3,4-Dihydroxybenzylideneacetone
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(E)-3,4-二羟基苯亚甲基丙酮
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CAS Number
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MDL Number
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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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9.006693
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H Acceptors
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3
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H Donor
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2
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LogD (pH = 5.5)
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1.8584468
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LogD (pH = 7.4)
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1.8480399
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Log P
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1.8585812
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Molar Refractivity
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50.5728 cm3
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Polarizability
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18.808472 Å3
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Polar Surface Area
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57.53 Å2
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Rotatable Bonds
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2
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent