3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine-6,8-dicarboxylic acid
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![3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine-6,8-dicarboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/39dc257f03d7439db94be722d6daa088.png "3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine-6,8-dicarboxylic acid")
3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine-6,8-dicarboxylic acid
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CAS No:
177364-98-6
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Formula:
C9H8O6S
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Chemical Name:
3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine-6,8-dicarboxylic acid
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Synonyms:
3,4-Propylenedioxythiophene-2,5-dicarboxylic acid; 2H-Thieno[3,4-b][1,4]dioxepin-6,8-dicarboxylicacid,2,3-dihydro-(9CI); 2,3-Dihydro-2H-thieno[3,4-b][1,4]dioxepin-6,8-dicarboxylic acid; 2H-Thieno[3,4-b][1,4]dioxepin-6,8-dicarboxylicacid,3,4-dihydro;
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CAS No:
3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine-6,8-dicarboxylic acid Basic Attributes
244.22100
244.00415914
DTXSID20445111
2934999090
Safety Information
R36/37/38
S26
Xi
P261; P305 + P351 + P338
H315; H319; H335
|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|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:244.22
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:244.00415914
Monoisotopic Mass:244.00415914
Topological Polar Surface Area:121
Heavy Atom Count:16
Complexity:278
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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