NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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[4-(3-propoxypropyl)phenyl]boronic acid
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IUPAC Traditional name
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4-(3-propoxypropyl)phenylboronic acid
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Synonyms
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4-n-Hexyloxybenzeneboronic acid
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4-正己氧基苯硼酸
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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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8.8464985
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H Acceptors
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3
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H Donor
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2
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LogD (pH = 5.5)
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2.8417056
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LogD (pH = 7.4)
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2.8267193
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Log P
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2.8419
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Molar Refractivity
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60.7992 cm3
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Polarizability
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25.196684 Å3
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Polar Surface Area
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49.69 Å2
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Rotatable Bonds
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7
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent