3-(4-methylsulfanylphenyl)propanoic acid
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3-(4-methylsulfanylphenyl)propanoic acid
structure -
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CAS No:
138485-81-1
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Formula:
C10H12O2S
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Chemical Name:
3-(4-methylsulfanylphenyl)propanoic acid
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CAS No:
3-(4-methylsulfanylphenyl)propanoic acid Basic Attributes
196.26600
196.05580079
DTXSID00396617
2930909090
Characteristics
62.60000
2.42570
light yellow power
1.19 g/cm3
98-102ºC(lit.)
348.7ºC at 760 mmHg
164.7ºC
1.583
1.86E-05mmHg at 25°C
Safety Information
R41
S26; S36/37/39
Xi
|Danger|H315 (13.64%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:196.27
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:196.05580079
Monoisotopic Mass:196.05580079
Topological Polar Surface Area:62.6
Heavy Atom Count:13
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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