2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetic acid
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2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetic acid
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CAS No:
69658-13-5
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Formula:
C19H12O3S
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Chemical Name:
2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetic acid
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Synonyms:
3-Carboxymethylbenzanthrone;69658-13-5;UNII-Z3B1NW33UX;2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetic acid;Z3B1NW33UX;NSC81276;ACETIC ACID, ((7-OXO-7H-BENZ(de)ANTHRACEN-3-YL)THIO)-;((7-oxo-7h-benz(de)anthracen-3-yl)thio)-aceticaci;3-Benzanthronyl carboxymethyl sulfide;NSC 81276;((7-Oxo-7H-benzo[de]anthracen-3-yl)thio)acetic acid;[(7-oxo-7H-benzo[de]anthracen-3-yl)thio]acetic acid;Acetic acid, [(7-oxo-7h-benz[de]anthracen-3-yl)thio]-;BRN 3407373;((7-Oxo-7H-benz(de)anthracen-3-yl)thio)acetic acid;7H-Benz(de)anthracen-7-one, 3-(carboxymethylthio)-;2-08-00-00241 (Beilstein Handbook Reference);2-(7-oxo-7h-benz(de)anthracen-3-ylthio)acetic acid;SCHEMBL1514307;DTXSID90219947;ZINC3885990;NSC-81276;AKOS001033875;CCG-114121;MCULE-9277186284;NE10817;2-({8-oxotetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-14-yl}sulfanyl)acetic acid;FT-0723967;EN300-04251;(7-Oxo-7H-benz[de]anthracen-3-ylthio)acetic acid;SR-01000506559;2-((7-oxo-7H-benzo[de]anthracen-3-yl)thio)acetic;SR-01000506559-1;Z56828897;2-((7-Oxo-7H-benz(de)anthracen-3-yl)thio)acetic acid;F0243-0028;2-({8-oxotetracyclo[7.7.1.0?,?.0??,??]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl}sulfanyl)acetic acid;2-({8-oxotetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-yl}sulfanyl)acetic acid
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CAS No:
2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetic acid Basic Attributes
320.4 g/mol
320.05071541 g/mol
Z3B1NW33UX
81276
DTXSID90219947
Safety Information
|Warning|H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, 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:320.4
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:320.05071541
Monoisotopic Mass:320.05071541
Topological Polar Surface Area:79.7
Heavy Atom Count:23
Complexity:491
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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