Acetonitrile, (3-hydroxy-4-oxo-2,5-cyclohexadien-1-ylidene)-, (2E)- (9CI)
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Acetonitrile, (3-hydroxy-4-oxo-2,5-cyclohexadien-1-ylidene)-, (2E)- (9CI)
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CAS No:
643727-00-8
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Formula:
C8H5NO2
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Chemical Name:
Acetonitrile, (3-hydroxy-4-oxo-2,5-cyclohexadien-1-ylidene)-, (2E)- (9CI)
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Synonyms:
643726-99-2;ZINC138735536;(3-Hydroxy-4-oxo-2,5-cyclohexadiene-1-ylidene)acetonitrile;(2E)-(3-Hydroxy-4-oxo-2,5-cyclohexadien-1-ylidene)acetonitrile;[(1E)-3-Hydroxy-4-oxo-2,5-cyclohexadiene-1-ylidene]acetonitrile;ACETONITRILE,(3-HYDROXY-4-OXO-2,5-CYCLOHEXADIEN-1-YLIDENE)-,(2E)-;ACETONITRILE,(3-HYDROXY-4-OXO-2,5-CYCLOHEXADIEN-1-YLIDENE)-,(2Z)-
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CAS No:
Acetonitrile, (3-hydroxy-4-oxo-2,5-cyclohexadien-1-ylidene)-, (2E)- (9CI) Basic Attributes
147.1308
147.032
Computed Properties
Molecular Weight:147.13
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:147.032028402
Monoisotopic Mass:147.032028402
Topological Polar Surface Area:61.1
Heavy Atom Count:11
Complexity:325
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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