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2,3,6-trimethylnaphthalene-1,4-dione

2,3,6-trimethylnaphthalene-1,4-dione structure

CAS No:
20490-42-0
Formula:
C13H12O2
Chemical Name:
2,3,6-trimethylnaphthalene-1,4-dione
Synonyms:
2,3,6-trimethyl-1,4-naphthoquinone;TM-NQ cpd;1,4-Naphthalenedione, 2,3,6-trimethyl-;20490-42-0;UNII-3F9265K5XQ;2,3,6-trimethylnaphthalene-1,4-dione;2,3,6-Trimethyl-1,4-naphthalenedione;CHEMBL1928855;3F9265K5XQ;2,3,6-trimethyl-1,4-naphthoquinone;SCHEMBL571353;DTXSID90174466;2,3,6-Trimethylnaphthoquinone #;BDBM50359639;Q27257154

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2,3,6-trimethylnaphthalene-1,4-dione Basic Attributes

Molecular Weight：

200.23 g/mol

Exact Mass：

200.083729621 g/mol

UNII：

3F9265K5XQ

DSSTox ID：

DTXSID90174466

Characteristics

PSA：

34.1 Å²

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

2,3,6-trimethyl-1,4-naphthoquinone

Computed Properties

Molecular Weight:200.23
XLogP3:2.6
Hydrogen Bond Acceptor Count:2
Exact Mass:200.083729621
Monoisotopic Mass:200.083729621
Topological Polar Surface Area:34.1
Heavy Atom Count:15
Complexity:352
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,3,6-trimethylnaphthalene-1,4-dione

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

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