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5-amino-4-methyl-3,8-diazabicyclo[4.3.0]nona-1,3,5-trien-7-one 7-amino-6-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one 5428-93-3
【Name】
7-amino-6-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one
【CAS Registry number】
5428-93-3
【Synonyms】
7-amino-6-methyl-2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-one
NSC13332
AC1L5DGF
AC1Q6J6F
NSC37784
AR-1H3145
NSC-13332
NSC-37784
7-amino-6-methyl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
【Molecular Formula】
C8H9N3O (Products with the same molecular formula)
【Molecular Weight】
163.1766
【Inchi】
InChI=1/C8H9N3O/c1-4-7(9)6-5(2-10-4)3-11-8(6)12/h2H,3,9H2,1H3,(H,11,12)
【Canonical SMILES】
CC1=NC=C2CNC(=O)C2=C1N
【MOL File】
5428-93-3.mol
Chemical and Physical Properties
【Density】
1.328g/cm3
【Boiling Point】
568°C at 760 mmHg
【Refractive Index】
1.643
【Flash Point】
297.3°C
【Computed Properties】
Molecular Weight:163.17656 [g/mol]
Molecular Formula:C8H9N3O
XLogP3-AA:0
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:0
Tautomer Count:5
Exact Mass:163.074562
MonoIsotopic Mass:163.074562
Topological Polar Surface Area:68
Heavy Atom Count:12
Formal Charge:0
Complexity:207
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:2
Feature 3D Cation Count:1
Feature 3D Ring Count:2
Effective Rotor Count:0.4
Conformer Sampling RMSD:0.4
CID Conformer Count:1
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