NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-[(carboxymethyl)sulfanyl]benzoic acid
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IUPAC Traditional name
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2-[(carboxymethyl)sulfanyl]benzoic acid
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Synonyms
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2-(Carboxymethylthio)benzoic acid
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2-[(Carboxymethyl)thio]benzoic acid
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2-(Carboxymethylmercapto)benzoic acid
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2-(Carboxymethylthio)benzoic acid
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2-(羧基甲基硫代)苯甲酸
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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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3.092002
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H Acceptors
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4
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H Donor
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2
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LogD (pH = 5.5)
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-2.3350375
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LogD (pH = 7.4)
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-5.136738
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Log P
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1.4256953
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Molar Refractivity
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52.3053 cm3
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Polarizability
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19.981548 Å3
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Polar Surface Area
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74.6 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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PATENTS
PATENTS
PubChem Patent
Google Patent