4-dibenzothiophen-2-yl-4-oxobutanoic acid
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4-dibenzothiophen-2-yl-4-oxobutanoic acid
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CAS No:
88878-79-9
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Formula:
C16H12O3S
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Chemical Name:
4-dibenzothiophen-2-yl-4-oxobutanoic acid
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Synonyms:
NSC105900;MLS002703854;88878-79-9;NSC-105900;4-dibenzo[b,d]thien-2-yl-4-oxobutanoic acid;4-dibenzothiophen-2-yl-4-oxobutanoic acid;NCIStruc1_000817;NCIStruc2_000881;SCHEMBL7823639;CHEMBL1440219;DTXSID10295864;ZINC393138;CCG-36262;NCGC00014079;NCI105900;AKOS024331808;MCULE-3149151093;NCGC00014079-02;NCGC00097188-01;NCI60_000143;SMR001570568;DS-005323
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CAS No:
4-dibenzothiophen-2-yl-4-oxobutanoic acid Basic Attributes
284.3 g/mol
284.05071541 g/mol
105900
DTXSID10295864
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, 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:284.3
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:284.05071541
Monoisotopic Mass:284.05071541
Topological Polar Surface Area:82.6
Heavy Atom Count:20
Complexity:395
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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