NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2,3,3-trimethyl-3H-indole-5-carboxylic acid
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IUPAC Traditional name
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2,3,3-trimethylindole-5-carboxylic acid
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Synonyms
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5-Carboxy-2,3,3-trimethyl-3H-indole
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2,3,3-Trimethylindolenine-5-carboxylic acid
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2,3,3-Trimethyl-3H-indole-5-carboxylic acid
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2,3,3-Trimethyl-3H-indole-5-carboxylic Acid
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2,3,3-Trimethyl-5-carboxyindolenine
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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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3.3779554
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H Acceptors
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3
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H Donor
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1
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LogD (pH = 5.5)
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1.5948757
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LogD (pH = 7.4)
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0.011002834
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Log P
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1.90675
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Molar Refractivity
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59.936 cm3
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Polarizability
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21.832415 Å3
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Polar Surface Area
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49.66 Å2
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Rotatable Bonds
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1
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
TRC
Toronto Research Chemicals -
T795970
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Intermediate in the synthesis of cyanine dyes for fluorescence imaging of tumor hypoxia and as contrast agents for near-IR tumor imaging. |
PATENTS
PATENTS
PubChem Patent
Google Patent