 Home > Encyclopedia > 8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-methyl-,6-oxide(9CI)

8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-methyl-,6-oxide(9CI)

8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-methyl-,6-oxide(9CI) structure

CAS No:
164355-82-2
Formula:
C9H12N4O3
Chemical Name:
8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-methyl-,6-oxide(9CI)
Synonyms:
5a-Amino-7-methyl-4,5,5a,8-tetrahydro-8aH-[1,2,5]oxadiazolo[3,4-e]indol-8a-ol 6-oxide;MLS000105180;CBDivE_014182;CHEMBL1466581;HMS2376O19;SMR000055109;SR-01000201322;SR-01000201322-1

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8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-methyl-,6-oxide(9CI) Basic Attributes

Molecular Weight：

224.22

Exact Mass：

224.091

Characteristics

PSA：

114

XLogP3：

-2.9

Density：

1.54±0.1 g/cm3(Predicted)

Boiling Point：

462.5±55.0 °C(Predicted)

Computed Properties

Molecular Weight:224.22
XLogP3:-2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Exact Mass:224.09094026
Monoisotopic Mass:224.09094026
Topological Polar Surface Area:114
Heavy Atom Count:16
Complexity:374
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol,5a-amino-4,5,5a,8-tetrahydro-7-methyl-,6-oxide(9CI)

Basic Attributes
Characteristics
Computed Properties

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