2-(3-methyl-1,4-dioxonaphthalen-2-yl)sulfanylacetic acid
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2-(3-methyl-1,4-dioxonaphthalen-2-yl)sulfanylacetic acid
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CAS No:
6325-58-2
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Formula:
C13H10O4S
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Chemical Name:
2-(3-methyl-1,4-dioxonaphthalen-2-yl)sulfanylacetic acid
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Synonyms:
5-Isoxazolemethanol,3-methyl; (3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl-sulfanyl)acetic acid; 3-methyl-5-hydroxymethylisoxazole; (3-Methyl-1,4-dioxo-1,4-dihydro-[2]naphthylmercapto)-essigsaeure; S-<3-Methyl-1,4-naphtochinon-2-yl>-thioglykolsaeure; 5-hydroxymethyl-3-methylisoxazole; 3-(1,4-dihydro-2-methyl-1,4-dioxo-naphthalen-3-yl-thio)propionic acid; (3-methylisoxazol-5-yl)methan-1-ol; 3-methylisoxazol-5-yl-methanol; (3-methyl-1,4-dioxo-1,4-dihydro-[2]naphthylsulfanyl)-acetic acid; 3-methyl-5-isoxazolemethanol; 3-methyl-5-isoxazolylmethanol;Expand
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CAS No:
2-(3-methyl-1,4-dioxonaphthalen-2-yl)sulfanylacetic acid Basic Attributes
262.28100
262.02997997 g/mol
30982
Computed Properties
Molecular Weight:262.28
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:262.02997997
Monoisotopic Mass:262.02997997
Topological Polar Surface Area:96.7
Heavy Atom Count:18
Complexity:438
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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