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8b,9a-Dihydro-3-nitropyreno[4,5-b]oxirene

8b,9a-Dihydro-3-nitropyreno[4,5-b]oxirene structure

CAS No:
105596-42-7
Formula:
C16H9NO3
Chemical Name:
8b,9a-Dihydro-3-nitropyreno[4,5-b]oxirene
Synonyms:
Pyreno[4,5-b]oxirene,8b,9a-dihydro-3-nitro-;8b,9a-Dihydro-3-nitropyreno[4,5-b]oxirene;1-Nitropyrene-4,5-oxide

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8b,9a-Dihydro-3-nitropyreno[4,5-b]oxirene Basic Attributes

Molecular Weight：

263.25 g/mol

Exact Mass：

263.25

Characteristics

PSA：

58.4 Å²

Drug Information

Metabolism/Metabolites：

4,5-Dihydro-4,5-epoxy-1-nitropyrene is a known human metabolite of 1-nitropyrene.

Computed Properties

Molecular Weight:263.25
XLogP3:3.3
Hydrogen Bond Acceptor Count:3
Exact Mass:263.058243149
Monoisotopic Mass:263.058243149
Topological Polar Surface Area:58.4
Heavy Atom Count:20
Complexity:448
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8b,9a-Dihydro-3-nitropyreno[4,5-b]oxirene

Basic Attributes
Characteristics
Drug Information
Computed Properties

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