NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-ethoxy-2-methylidene-4-oxobutanoic acid
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IUPAC Traditional name
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4-ethoxy-2-methylidene-4-oxobutanoic acid
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Synonyms
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4-Ethoxy-2-methylene-4-oxobutyric acid
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Ethyl itaconate
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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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4.3252425
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H Acceptors
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3
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H Donor
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1
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LogD (pH = 5.5)
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-0.64542806
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LogD (pH = 7.4)
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-2.3889453
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Log P
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0.5555267
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Molar Refractivity
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37.4326 cm3
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Polarizability
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14.760535 Å3
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Polar Surface Area
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63.6 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Safety Information
Bioassay(PubChem)
Storage Warning
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Irritant
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent