NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-(4-methoxyphenyl)-3-oxopropanenitrile
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IUPAC Traditional name
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3-(4-methoxyphenyl)-3-oxopropanenitrile
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Synonyms
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3-(4-Methoxyphenyl)-3-oxopropanenitrile
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4-(Cyanoacetyl)anisole
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4-Methoxybenzoylacetonitrile
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4-Methoxybenzoyl acetonitrile
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4-Methoxybenzoylacetonitrile
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3-(4-Methoxyphenyl)-3-oxopropanenitrile
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4-甲氧基苯甲酰乙腈
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4-甲氧基苯甲酰基乙腈
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4-甲氧基苄氧基乙腈
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CAS Number
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EC Number
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MDL Number
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Beilstein 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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13.233311
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H Acceptors
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3
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H Donor
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0
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LogD (pH = 5.5)
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1.3233994
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LogD (pH = 7.4)
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1.3233987
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Log P
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1.3233994
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Molar Refractivity
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48.2474 cm3
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Polarizability
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18.267406 Å3
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Polar Surface Area
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50.09 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