4-Butoxybenzeneacetic acid
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4-Butoxybenzeneacetic acid
structure -
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CAS No:
4547-57-3
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Formula:
C12H16O3
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Chemical Name:
4-Butoxybenzeneacetic acid
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Synonyms:
Benzeneacetic acid,4-butoxy-;Acetic acid,(p-butoxyphenyl)-;4-Butoxybenzeneacetic acid;4-n-Butoxybenzeneacetic acid;4-Butoxyphenylacetic acid;(p-Butoxyphenyl)acetic acid;4-n-Butoxyphenylacetic acid;2-(4-Butoxyphenyl)acetic acid
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CAS No:
Characteristics
46.53000
2.49260
1.093±0.06 g/cm3(Predicted)
88.5 °C
86-87 °C @ Press: 1 Torr
130.1ºC
Safety Information
NONH for all modes of transport
2
R22;R36/37/38
S26-S36
AF6945000
Xi: Irritant;
P261-P305 + P351 + P338
H302-H315-H319-H335
|Warning|H302 (100%): 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 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:208.25
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:208.109944368
Monoisotopic Mass:208.109944368
Topological Polar Surface Area:46.5
Heavy Atom Count:15
Complexity:183
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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