2-(3-methylsulfanylphenyl)acetic acid
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2-(3-methylsulfanylphenyl)acetic acid
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CAS No:
18698-73-2
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Formula:
C9H10O2S
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Chemical Name:
2-(3-methylsulfanylphenyl)acetic acid
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Synonyms:
3-(Carboxymethyl)thioanisole; 3-(Methylthio)phenyl acetic acid; m-Methylmercaptophenylessigsaeure;
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CAS No:
Characteristics
62.60000
2.03560
1.23g/cm3
77-81ºC(lit.)
333.7ºC at 760mmHg
155.6ºC
1.596
5.31E-05mmHg at 25°C
Computed Properties
Molecular Weight:182.24
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:182.04015073
Monoisotopic Mass:182.04015073
Topological Polar Surface Area:62.6
Heavy Atom Count:12
Complexity:159
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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