3-acetylsulfanylpropanoic acid
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3-acetylsulfanylpropanoic acid
structure -
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CAS No:
41345-70-4
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Formula:
C5H8O3S
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Chemical Name:
3-acetylsulfanylpropanoic acid
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Synonyms:
3-acetylsulfanylpropanoic acid;S-Acetyl-3-mercaptopropionicacid;NSC 96653;Thioacetic Acid S-(2-Carboxyethyl) Ester;3-(Acetylthio)propionic acid 96%;3-(Acetylthio)propanoic acid
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CAS No:
Safety Information
NONH for all modes of transport
3
22-36/37/38
26
Xn
P261-P305 + P351 + P338
H302-H315-H319-H335
|Warning|H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:148.18
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:148.01941529
Monoisotopic Mass:148.01941529
Topological Polar Surface Area:79.7
Heavy Atom Count:9
Complexity:121
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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