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Structure

3,5,7,8,9-Pentazabicyclo[4.3.0]nona-2,5,8-trien-4-one

CAS
51141-43-6
Catalog Number
ACM51141436
Category
Other Products
Molecular Weight
137.09952
Molecular Formula
C4H3N5O

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Specification

Synonyms
MolPort-004-758-906, NSC521719, CID3343850, 2,4,7,8,9-pentazabicyclo[4.3.0]nona-1,4,6-trien-3-one, 51141-43-6
IUPAC Name
2,3-dihydrotriazolo[4,5-d]pyrimidin-5-one
Canonical SMILES
C1=NC(=O)N=C2C1=NNN2
InChI Key
ODPJQZNJZWLTJH-UHFFFAOYSA-N
Boiling Point
233.8ºC at 760mmHg
Flash Point
95.2ºC
Density
2.26g/cm³
Exact Mass
137.03400
H-Bond Acceptor
4
H-Bond Donor
2
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