NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(2E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoic acid
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IUPAC Traditional name
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(2E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoic acid
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Synonyms
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3-[2-(difluoromethoxy)phenyl]acrylic acid
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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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3.9408479
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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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1.3388242
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LogD (pH = 7.4)
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-0.28683597
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Log P
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2.9051733
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Molar Refractivity
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49.532 cm3
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Polarizability
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18.314512 Å3
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Polar Surface Area
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46.53 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent