NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-oxo-4-phenylbutanenitrile
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IUPAC Traditional name
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4-oxo-4-phenylbutanenitrile
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Synonyms
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β-Benzoylpropionitrile
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β-Cyanopropiophenone
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(γ-Oxo)-benzenebutanenitrile
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2-Cyanoethyl phenyl ketone
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3-Benzoylpropionitrile
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3-Cyano-1-phenylpropan-1-one
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4-Oxo-4-phenylbutanenitrile
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β-氰基苯丙酮
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β-苯甲酰丙腈
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(γ-氧代)-苯丁腈
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2-氰乙基苯基酮
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3-氰基-1-苯基丙-1-酮
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3-苯甲酰丙腈
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4-氧代-4-苯基丁腈
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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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14.507336
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H Acceptors
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2
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H Donor
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0
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LogD (pH = 5.5)
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1.413705
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LogD (pH = 7.4)
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1.4137049
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Log P
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1.413705
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Molar Refractivity
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46.3334 cm3
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Polarizability
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17.586197 Å3
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Polar Surface Area
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40.86 Å2
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Rotatable Bonds
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3
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
Sigma Aldrich
PATENTS
PATENTS
PubChem Patent
Google Patent