NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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calcium 3-benzylbenzene-1,2-dicarboxylate
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IUPAC Traditional name
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calcium(2+) 3-benzylphthalate
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Synonyms
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CAS 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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2.799393
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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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0.3719356
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LogD (pH = 7.4)
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-2.1295214
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Log P
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3.3802056
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Molar Refractivity
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91.9818 cm3
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Polarizability
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26.173742 Å3
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Polar Surface Area
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80.26 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Safety Information
Product Information
Bioassay(PubChem)
DETAILS
DETAILS
MP Biomedicals
PATENTS
PATENTS
PubChem Patent
Google Patent