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6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile

6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile structure

CAS No:
5512-95-8
Formula:
C9H7N3O2
Chemical Name:
6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
Synonyms:
6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile;MLS002693433;5512-95-8;NSC63461;NCIOpen2_000128;CHEMBL2137784;DTXSID20289759;HMS3079L22;NSC-63461;STK523681;AKOS005454511;MCULE-4983239359;SMR001559388;6,6-DIMETHYL-2,4-DIOXO-3-AZA-BICYCLO(3.1.0)HEXANE-1,5-DICARBONITRILE

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6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile Basic Attributes

Molecular Weight：

189.17 g/mol

Exact Mass：

189.053826475 g/mol

NSC Number：

63461

DSSTox ID：

DTXSID20289759

Characteristics

PSA：

93.8 Å²

Safety Information

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:189.17
XLogP3:-0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:189.053826475
Monoisotopic Mass:189.053826475
Topological Polar Surface Area:93.8
Heavy Atom Count:14
Complexity:433
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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