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Substance Name: Benzoic acid, 3-hydroxy-, 3-methyl-1-pentyn-3-yl ester
ID: DH24680000
InChIKey: AFIWUJMJEBXKNA-ZDUSSCGKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-O3

Molecular Weight

  • 218.2506
 
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Names and Synonyms

Synonym

  • 3-Methyl-1-pentyn-3-yl 3-hydroxybenzoate

Systematic Name

  • Benzoic acid, 3-hydroxy-, 3-methyl-1-pentyn-3-yl ester

Registry Numbers

ID Number

  • NIOSH/DH2468000

System Generated Number

  • DH24680000

Structure Descriptors

InChI

1S/C13H14O3/c1-4-13(3,5-2)16-12(15)10-7-6-8-11(14)9-10/h1,6-9,14H,5H2,2-3H3/t13-/m0/s1

InChIKey

AFIWUJMJEBXKNA-ZDUSSCGKSA-N

Smiles

CC[C@@](C)(OC(=O)c1cccc(O)c1)C#C