3,6-diamino-2,5-diformyl-1,4-dihydropentalene-3a,6a-dicarbonitrile
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3,6-diamino-2,5-diformyl-1,4-dihydropentalene-3a,6a-dicarbonitrile
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CAS No:
118373-44-7
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Formula:
C12H10N4O2
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Chemical Name:
3,6-diamino-2,5-diformyl-1,4-dihydropentalene-3a,6a-dicarbonitrile
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Synonyms:
NSC681787;1,4-Diamino-2,5-diformyl-3a,6a(3H,6H)-pentalenedicarbonitrile;CHEMBL2004991;3,6-diamino-2,5-diformylpentalene-3a,6a(1h,4h)-dicarbonitrile;3,6-diamino-2,5-diformyl-1,4-dihydropentalene-3a,6a-dicarbonitrile;STL321689;AKOS022133273;MCULE-2571963480;NSC-681787;NCI60_029272;118373-44-7
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CAS No:
3,6-diamino-2,5-diformyl-1,4-dihydropentalene-3a,6a-dicarbonitrile Basic Attributes
242.23 g/mol
242.08037557 g/mol
681787
Computed Properties
Molecular Weight:242.23
XLogP3:-1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:242.08037557
Monoisotopic Mass:242.08037557
Topological Polar Surface Area:134
Heavy Atom Count:18
Complexity:571
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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