3-Methyl-3-phenylbutanoic acid
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3-Methyl-3-phenylbutanoic acid
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CAS No:
1010-48-6
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Formula:
C11H14O2
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Chemical Name:
3-Methyl-3-phenylbutanoic acid
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Synonyms:
Benzenepropanoic acid,β,β-dimethyl-;Hydrocinnamic acid,β,β-dimethyl-;β,β-Dimethylbenzenepropanoic acid;β-Phenylisovaleric acid;3-Phenylisopentanoic acid;3-Methyl-3-phenylbutyric acid;3-Methyl-3-phenylbutanoic acid;NSC 1046;NSC 200697;NSC 408029;3,3-Dimethyl-3-phenylpropionic acid
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CAS No:
3-Methyl-3-phenylbutanoic acid Basic Attributes
178.23
178.23
SY9Z3KBQ5R
408029|200697|1046
DTXSID40143622
2916399090
Characteristics
37.30000
2.43890
1.0292 (rough estimate)
60 °C
165-166 °C @ Press: 20 Torr
183.8ºC
1.5182 (estimate)
0.00122mmHg at 25°C
Safety Information
|Warning|H302 (50%): 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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:178.23
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:178.099379685
Monoisotopic Mass:178.099379685
Topological Polar Surface Area:37.3
Heavy Atom Count:13
Complexity:179
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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