4-Hydroxy-4-methylpent-2-ynoic acid

• CAS: 50624-25-4
• Catalog Number: ACM50624254
• Category: Alcohols
• Molecular Weight: 128.13
• Molecular Formula: C₆H₈O₃
• Synonyms: 4-hydroxy-4-methylpent-2-ynoic acid, 50624-25-4, AC1MKW9B, Ambcb5858379, CTK4J2900, MolPort-003-991-719, AKOS005263947, AG-A-75795, AG-F-70314, AK-97449, AB1008880, BB 0260136, 4-hydroxy-4-methylpent-2-ynoic acid (may contain trace amounts of NaCl and water)
• IUPAC Name: 4-hydroxy-4-methylpent-2-ynoic acid
• Canonical SMILES: CC(C)(C#CC(=O)O)O
• InChI Key: SSMODACYDJLXEK-UHFFFAOYSA-N
• Boiling Point: 275.8ºC at 760 mmHg
• Flash Point: 134.8ºC
• Density: 1.243g/cm³
• Exact Mass: 128.04700
• Hazard Statements: H226-H315-H319-H335
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• RIDADR: NONH for all modes of transport
• Symbol: GHS02

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is 4-hydroxy-4-methylpent-2-ynoic acid.

What is the molecular formula of the compound?

The molecular formula of the compound is C6H8O3.

What is the molecular weight of the compound?

The molecular weight of the compound is 128.13 g/mol.

What is the InChIKey of the compound?

The InChIKey of the compound is SSMODACYDJLXEK-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC(C)(C#CC(=O)O).

What is the CAS number of the compound?

The CAS number of the compound is 50624-25-4.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 0.1.

How many hydrogen bond donor counts are there in the compound?

There are 2 hydrogen bond donor counts in the compound.

How many hydrogen bond acceptor counts are there in the compound?

There are 3 hydrogen bond acceptor counts in the compound.

How many rotatable bond counts are there in the compound?

There is 1 rotatable bond count in the compound.