3-(4-Mercaptophenyl)propanoic acid
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3-(4-Mercaptophenyl)propanoic acid
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CAS No:
63545-55-1
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Formula:
C9H10O2S
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Chemical Name:
3-(4-Mercaptophenyl)propanoic acid
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Synonyms:
Benzenepropanoic acid,4-mercapto-;Hydrocinnamic acid,p-mercapto-;4-Mercaptobenzenepropanoic acid;4-Mercaptodihydrocinnamic acid;3-(4-Mercaptophenyl)propionic acid;p-Mercaptohydrocinnamic acid;4-Mercaptohydrocinnamic acid;3-(4-Mercaptophenyl)propanoic acid
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CAS No:
Characteristics
38.3
1.99250
Yellow Powder
1.248g/cm3
100-105 °C
345.1ºC at 760 mmHg
1.603
-20°C Freezer
Safety Information
36/37/38
26-36/37/39
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
3-(4-Mercaptophenyl)propanoic acid Use and Manufacturing
A useful synthetic intermediate for the preparation of novel antiinflammatory agents
Computed Properties
Molecular Weight:182.24
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:182.04015073
Monoisotopic Mass:182.04015073
Topological Polar Surface Area:38.3
Heavy Atom Count:12
Complexity:151
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-(4-Mercaptophenyl)propanoic acid
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