NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-(1-benzofuran-3-yl)acetonitrile
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IUPAC Traditional name
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2-(1-benzofuran-3-yl)acetonitrile
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Synonyms
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1-benzofuran-3-ylacetonitrile
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Benzo[b]furan-3-acetonitrile
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3-Benzo[b]furylacetonitrile
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Benzofuran-3-acetonitrile
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苯并[b]呋喃-3-乙腈
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苯并呋喃-3-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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11.334415
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H Acceptors
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1
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H Donor
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0
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LogD (pH = 5.5)
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1.8280658
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LogD (pH = 7.4)
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1.8280159
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Log P
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1.8280663
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Molar Refractivity
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45.186 cm3
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Polarizability
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18.246296 Å3
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Polar Surface Area
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36.93 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
Sigma Aldrich
PATENTS
PATENTS
PubChem Patent
Google Patent