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ethyl 2-[3-(4-nitrophenyl)-1,4-dioxonaphthalen-2-yl]-3-oxobutanoate

ethyl 2-[3-(4-nitrophenyl)-1,4-dioxonaphthalen-2-yl]-3-oxobutanoate structure

CAS No:
6064-35-3
Formula:
C22H17NO7
Chemical Name:
ethyl 2-[3-(4-nitrophenyl)-1,4-dioxonaphthalen-2-yl]-3-oxobutanoate
Synonyms:
ETHYL 2-[3-(4-NITROPHENYL)-1,4-DIOXO-NAPHTHALEN-2-YL]-3-OXO-BUTANOATE; 4-methyl-dodecan-6-one;

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ethyl 2-[3-(4-nitrophenyl)-1,4-dioxonaphthalen-2-yl]-3-oxobutanoate Basic Attributes

Molecular Weight：

407.37300

Exact Mass：

407.10050188

DSSTox ID：

DTXSID60387208

Characteristics

PSA：

123.33000

XLogP3：

3.71910

Density：

1.372g/cm3

Boiling Point：

594.1ºC at 760 mmHg

Flash Point：

239.7ºC

Refractive Index：

1.614

Computed Properties

Molecular Weight:407.4
XLogP3:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:407.10050188
Monoisotopic Mass:407.10050188
Topological Polar Surface Area:123
Heavy Atom Count:30
Complexity:786
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 2-[3-(4-nitrophenyl)-1,4-dioxonaphthalen-2-yl]-3-oxobutanoate

Basic Attributes
Characteristics
Computed Properties
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