4-Hexylbenzoic acid
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4-Hexylbenzoic acid
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CAS No:
21643-38-9
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Formula:
C13H18O2
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Chemical Name:
4-Hexylbenzoic acid
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Synonyms:
Benzoic acid,4-hexyl-;Benzoic acid,p-hexyl-;4-Hexylbenzoic acid;p-Hexylbenzoic acid;4-n-Hexylbenzoic acid;p-n-Hexylbenzoic acid;NSC 172887
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CAS No:
4-Hexylbenzoic acid Basic Attributes
206.28
206.130679813
244-490-6
VF567YY01P
172887
DTXSID7066720
2916399090
Safety Information
|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.
Computed Properties
Molecular Weight:206.28
XLogP3:5.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:206.130679813
Monoisotopic Mass:206.130679813
Topological Polar Surface Area:37.3
Heavy Atom Count:15
Complexity:181
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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