4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid

• CAS: 63165-02-6
• Catalog Number: ACM63165026
• Category: Alcohols
• Molecular Weight: 204.22
• Molecular Formula: C₁₂H₁₂O₃
• Synonyms: 4-(3-HYDROXY-3-METHYLBUT-1-YNYL)BENZOIC ACID
• Hazard Statements: H318
• RIDADR: NONH for all modes of transport
• Symbol: GHS05

Custom Q&A

What is the molecular formula of the compound described in the reference?

The molecular formula is C12H12O3.

What is the molecular weight of the compound?

The molecular weight is 204.22 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 4-(3-hydroxy-3-methylbut-1-ynyl)benzoic acid.

What is the InChI of the compound?

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

What is the InChIKey of the compound?

The InChIKey is JBLUITWCDABZAF-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

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

What is the CAS number of the compound?

The CAS number is 63165-02-6.

What is the DSSTox Substance ID of the compound?

The DSSTox Substance ID is DTXSID10397973.

What is the Nikkaji Number of the compound?

The Nikkaji Number is J1.789.190A.

Is the compound canonicalized?

Yes, the compound is canonicalized.