NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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5-[4-chloro-5-methyl-2-(propan-2-yl)phenoxymethyl]furan-2-carboxylic acid
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IUPAC Traditional name
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5-(4-chloro-2-isopropyl-5-methylphenoxymethyl)furan-2-carboxylic acid
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Synonyms
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5-[(4-Chloro-2-isopropyl-5-methylphenoxy)-methyl]-2-furoic acid
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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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3.1123633
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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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2.1811926
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LogD (pH = 7.4)
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1.0807219
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Log P
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4.540354
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Molar Refractivity
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80.6952 cm3
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Polarizability
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30.755104 Å3
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Polar Surface Area
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59.67 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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MSDS Link
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PATENTS
PATENTS
PubChem Patent
Google Patent