diethyl 2-(3,4-dioxonaphthalen-1-yl)propanedioate
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diethyl 2-(3,4-dioxonaphthalen-1-yl)propanedioate
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CAS No:
18093-47-5
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Formula:
C17H16O6
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Chemical Name:
diethyl 2-(3,4-dioxonaphthalen-1-yl)propanedioate
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Synonyms:
Q186 4-(BIS(ETHOXYCARBONYL)METHYL)-1,2-NAPHTHOQUINONE;ZINC5807803;AKOS024341176;18093-47-5;diethyl 2-(3,4-dioxo-1-naphthyl)propanedioate;Diethyl (3,4-dioxo-3,4-dihydro-1-naphthyl)malonate;Propanedioic acid, (3,4-dihydro-3,4-dioxo-1-naphthalenyl)-, diethyl ester
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CAS No:
Safety Information
|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:316.30
XLogP3:1.7
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:316.09468823
Monoisotopic Mass:316.09468823
Topological Polar Surface Area:86.7
Heavy Atom Count:23
Complexity:529
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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