3-(2-carboxy-2-hydroxyethyl)sulfanyl-3-(1H-imidazol-5-yl)propanoic acid
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3-(2-carboxy-2-hydroxyethyl)sulfanyl-3-(1H-imidazol-5-yl)propanoic acid
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CAS No:
153471-98-8
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Formula:
C9H12N2O5S
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Chemical Name:
3-(2-carboxy-2-hydroxyethyl)sulfanyl-3-(1H-imidazol-5-yl)propanoic acid
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Synonyms:
3-{[2-carboxy-1-(1h-imidazol-5-yl)ethyl]sulfanyl}-2-hydroxypropanoic acid; S-(2-Carboxy-1-(1H-imidazol-4-yl)-ethyl)-3-thiolactic acid; 1H-Imidazole-5-propanoicacid,b-[(2-carboxy-2-hydroxyethyl)thio]; Cie-TL;
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CAS No:
3-(2-carboxy-2-hydroxyethyl)sulfanyl-3-(1H-imidazol-5-yl)propanoic acid Basic Attributes
260.26700
260.04669266 g/mol
Computed Properties
Molecular Weight:260.27
XLogP3:-1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:260.04669266
Monoisotopic Mass:260.04669266
Topological Polar Surface Area:149
Heavy Atom Count:17
Complexity:289
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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