3-(cyanomethyl)-4-oxophthalazine-1-carboxylic acid
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3-(cyanomethyl)-4-oxophthalazine-1-carboxylic acid
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CAS No:
750622-38-9
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Formula:
C11H7N3O3
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Chemical Name:
3-(cyanomethyl)-4-oxophthalazine-1-carboxylic acid
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Synonyms:
ZINC3270468;AKOS002503604;MCULE-9312261728;SR-01000035937;SR-01000035937-1;Z19629927;3-(cyanomethyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid;750622-38-9
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CAS No:
Computed Properties
Molecular Weight:229.19
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:229.04874109
Monoisotopic Mass:229.04874109
Topological Polar Surface Area:93.8
Heavy Atom Count:17
Complexity:435
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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