3-(carboxymethylsulfanyl)-2-oxopropanoic acid
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3-(carboxymethylsulfanyl)-2-oxopropanoic acid
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CAS No:
51783-05-2
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Formula:
C5H6O5S
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Chemical Name:
3-(carboxymethylsulfanyl)-2-oxopropanoic acid
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Synonyms:
S-Carboxymethyl-thiopyruvate; Homoisocitrate thia analogue,4; 3-[(Carboxymethyl)sulfanyl]-2-Oxopropanoic Acid; propanoic acid,3-[(carboxymethyl)thio]-2-oxo;
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CAS No:
3-(carboxymethylsulfanyl)-2-oxopropanoic acid Basic Attributes
178.16300
177.99359446 g/mol
DTXSID20199703
2930909090
Computed Properties
Molecular Weight:178.17
XLogP3:-0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:177.99359446
Monoisotopic Mass:177.99359446
Topological Polar Surface Area:117
Heavy Atom Count:11
Complexity:187
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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