2,3,6-trimethylbenzoic acid
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2,3,6-trimethylbenzoic acid
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CAS No:
2529-36-4
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Formula:
C10H12O2
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Chemical Name:
2,3,6-trimethylbenzoic acid
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Synonyms:
2,3,6-TRIMETHYLBENZOIC ACID;16-O-Acetylpolyporenic acid C;2529-36-4;2535-06-0;Benzoic acid, 2,3,6-trimethyl-;2,3,6-Trimethyl-benzoic acid;SCHEMBL1257806;DTXSID60179928;ZINC2036077;AKOS022636810;AE-562/43460170
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CAS No:
Safety Information
|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 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:164.20
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:164.083729621
Monoisotopic Mass:164.083729621
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:177
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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