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Home > Encyclopedia > 4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid

4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid

4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid structure

4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid 

structure
  • CAS No:

    1138-41-6

  • Formula:

    C12H14O3

  • Chemical Name:

    4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid

  • Synonyms:

    3-dimethylallyl-4-hydroxybenzoic acid;4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid;4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid;1138-41-6;CHEBI:31111;C12458;4-hydroxy-3-prenylbenzoic acid;CHEBI:1845;CHEMBL452154;SCHEMBL1607531;3-Prenyl-4-hydroxybenzoic acid;4-hydroxy-3-polyprenylbenzoic acid;ZINC4654776;AKOS022648670;Q27104191;NCGC00385936-01!4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid

Description

3-dimethylallyl-4-hydroxybenzoic acid is a monohydroxybenzoic acid that is 4-hydroxybenzoic acid bearing an additional dimethylallyl substituent at position 3. It has a role as a plant metabolite. It is a conjugate acid of a 3-dimethylallyl-4-hydroxybenzoate.

4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid Basic Attributes

206.24 g/mol

206.094294304 g/mol

Characteristics

57.5 Ų

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:206.24
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:206.094294304
Monoisotopic Mass:206.094294304
Topological Polar Surface Area:57.5
Heavy Atom Count:15
Complexity:254
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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