NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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[(2-oxo-3-phenylpropanoyl)oxy]calcio 2-oxo-3-phenylpropanoate
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IUPAC Traditional name
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[(2-oxo-3-phenylpropanoyl)oxy]calcio 2-oxo-3-phenylpropanoate
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Synonyms
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Phenylpyruvic acid calcium salt
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Calcium phenylpyruvate
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苯丙酮酸 钙盐
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苯基丙酮酸钙
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CAS Number
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EC 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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12.490731
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H Acceptors
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4
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H Donor
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0
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LogD (pH = 5.5)
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5.4256
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LogD (pH = 7.4)
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5.4255967
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Log P
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5.4256
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Molar Refractivity
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83.568 cm3
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Polarizability
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35.33892 Å3
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Polar Surface Area
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86.74 Å2
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Rotatable Bonds
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10
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Lipinski's Rule of Five
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false
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PATENTS
PATENTS
PubChem Patent
Google Patent