4-Methylbenzenebutanoic acid
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4-Methylbenzenebutanoic acid
structure -
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CAS No:
4521-22-6
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Formula:
C11H14O2
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Chemical Name:
4-Methylbenzenebutanoic acid
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Synonyms:
Benzenebutanoic acid,4-methyl-;Butyric acid,4-p-tolyl-;4-Methylbenzenebutanoic acid;4-p-Tolylbutyric acid;4-(4-Methylphenyl)butyric acid;NSC 57013;4-(4-Methylphenyl)butanoic acid;4-(p-Tolyl)butanoic acid
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CAS No:
4-Methylbenzenebutanoic acid Basic Attributes
178.23
178.23
224-848-8
57013
DTXSID20196434
2916399090
Characteristics
37.3
2.8
1.1±0.1 g/cm3
144 °C @ Solvent: Ethanol, 95%
155 °C @ Press: 3 Torr
205.4±14.4 °C
1.532
Safety Information
S24/25
P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P501
H302
|Warning|H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:178.23
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:178.099379685
Monoisotopic Mass:178.099379685
Topological Polar Surface Area:37.3
Heavy Atom Count:13
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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