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(3,6-Dioxo-1,4-cyclohexadien-1-yl)methyl 3-methylbutanoate

(3,6-Dioxo-1,4-cyclohexadien-1-yl)methyl 3-methylbutanoate structure

CAS No:
849762-24-9
Formula:
C12H14O4
Chemical Name:
(3,6-Dioxo-1,4-cyclohexadien-1-yl)methyl 3-methylbutanoate
Synonyms:
Butanoic acid,3-methyl-,(3,6-dioxo-1,4-cyclohexadien-1-yl)methyl ester;(3,6-Dioxo-1,4-cyclohexadien-1-yl)methyl 3-methylbutanoate;Blattellaquinone;Gentisylquinone isovalerate
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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(3,6-Dioxo-1,4-cyclohexadien-1-yl)methyl 3-methylbutanoate Basic Attributes

Molecular Weight：

222.239

Exact Mass：

222.24

DSSTox ID：

DTXSID00464047

HScode：

2915900090

Characteristics

PSA：

60.4

XLogP3：

Density：

1.2±0.1 g/cm3

Melting Point：

46-47 °C @ Solvent: Hexane

Boiling Point：

314.4°C at 760 mmHg

Flash Point：

136.2±22.1 °C

Refractive Index：

1.504

Drug Information

MeSH Entry Terms：

blattellaquinone

Computed Properties

Molecular Weight:222.24
XLogP3:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:222.08920892
Monoisotopic Mass:222.08920892
Topological Polar Surface Area:60.4
Heavy Atom Count:16
Complexity:375
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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849762-24-9

CAS No.: 849762-24-9

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Butanoicacid, 3-methyl-, (3,6-dioxo-1,4-cyclohexadien-1-yl)methyl ester

CAS No.: 849762-24-9

Content: 99.00%

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Guide of (3,6-Dioxo-1,4-cyclohexadien-1-yl)methyl 3-methylbutanoate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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(3,6-Dioxo-1,4-cyclohexadien-1-yl)methyl 3-methylbutanoate

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