2-butan-2-yloxycarbonylbenzoic acid
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2-butan-2-yloxycarbonylbenzoic acid
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CAS No:
53623-59-9
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Formula:
C12H14O4
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Chemical Name:
2-butan-2-yloxycarbonylbenzoic acid
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Synonyms:
Mono-sec-butyl phthalate;53623-59-9;2-butan-2-yloxycarbonylbenzoic acid;Phthalic acid, mono-sec-butyl ester;MONOSEC-BUTYLPHTHALATE;1,2-Benzenedicarboxylic acid, mono(1-methylpropyl) ester;NSC 29059;AI3-11180;NSC29059;Phthalsauremethyl-n-Propylester;SCHEMBL2989810;NSC-29059;AKOS022654387;MCULE-3530653057;Phthalic acid hydrogen 1-sec-butyl ester;PHTHALIC ACID MONO-SEC-BUTYL ESTER
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CAS No:
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:222.24
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:222.08920892
Monoisotopic Mass:222.08920892
Topological Polar Surface Area:63.6
Heavy Atom Count:16
Complexity:262
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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