3-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid

• CAS: 878742-28-0
• Catalog Number: ACM878742280
• Category: Alcohols
• Molecular Weight: 204.22
• Molecular Formula: C₁₁H₂₄O₂
• Synonyms: 3-(3-HYDROXY-3-METHYLBUT-1-YNYL)BENZOIC ACID;3-(3-HYDROXY-3-METHYL-1-BUTYN-1-YL) BENZOIC ACID;3-(3-HYDROXY-3-METHYLBUT-1-YN-1-YL)BENZOIC ACID
• Hazard Statements: H302
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 3-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid?

The molecular formula is C12H12O3.

What is the molecular weight of 3-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid?

The molecular weight is 204.22 g/mol.

When was 3-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid created?

It was created on May 28, 2009.

When was 3-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid last modified?

It was last modified on November 25, 2023.

What is the IUPAC name of 3-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid?

The IUPAC name is 3-(3-hydroxy-3-methylbut-1-ynyl)benzoic acid.

What is the InChI code of 3-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid?

The InChI code is InChI=1S/C12H12O3/c1-12(2,15)7-6-9-4-3-5-10(8-9)11(13)14/h3-5,8,15H,1-2H3,(H,13,14).

What is the InChIKey of 3-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid?

The InChIKey is VKXLALQKRXWOJK-UHFFFAOYSA-N.

What is the canonical SMILES representation of 3-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid?

The canonical SMILES representation is CC(C)(C#CC1=CC(=CC=C1)C(=O)O).

What is the CAS number of 3-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid?

The CAS number is 878742-28-0.

What is the XLogP3 value of 3-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid?

The XLogP3 value is 2.1.