NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(2E)-3-[2-methoxy-4-(propan-2-yloxy)phenyl]prop-2-enoic acid
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IUPAC Traditional name
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(2E)-3-(4-isopropoxy-2-methoxyphenyl)prop-2-enoic acid
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Synonyms
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(2E)-3-(4-Isopropoxy-2-methoxyphenyl)acrylic 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
Polar Surface Area
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55.76 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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Acid pKa
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3.6559777
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H Acceptors
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4
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H Donor
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1
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LogD (pH = 5.5)
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0.7527984
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LogD (pH = 7.4)
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-0.72854954
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Log P
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2.5941267
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Molar Refractivity
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65.1537 cm3
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Polarizability
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24.921644 Å3
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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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TSCA Listed
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false
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent