NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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methyl 2,4-dioxo-4-(thiophen-2-yl)butanoate
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IUPAC Traditional name
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methyl 2,4-dioxo-4-(thiophen-2-yl)butanoate
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Synonyms
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Methyl 2,4-dioxo-4-(2-thienyl)butanoate
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methyl 2,4-dioxo-4-thien-2-ylbutanoate
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methyl 2,4-dioxo-4-(thiophen-2-yl)butanoate
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2,4-Dioxo-4-thiophen-2-yl-butyric acid methyl ester
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Methyl 2,4-dioxo-4-(thien-2-yl)butanoate
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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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8.485219
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H Acceptors
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3
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H Donor
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0
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LogD (pH = 5.5)
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2.0040014
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LogD (pH = 7.4)
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1.9701729
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Log P
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2.0044503
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Molar Refractivity
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49.8099 cm3
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Polarizability
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19.235382 Å3
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Polar Surface Area
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60.44 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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PATENTS
PATENTS
PubChem Patent
Google Patent