2-Pentynoic acid

• Catalog Number: ACM5963779
• Product Name: 2-Pentynoic acid
• CAS: 5963-77-9
• Category: Alkynes
• Synonyms: NSC289567, CID324379, SBB015113, 5963-77-9
• IUPAC Name: pent-2-ynoic acid
• Molecular Weight: 98.10
• Molecular Formula: C₅H₆O₂
• Canonical SMILES: CCC#CC(=O)O
• InChI Key: MINRDQDGBLQBGD-UHFFFAOYSA-N
• Boiling Point: 125ºC 30mm
• Melting Point: 48-50ºC
• Flash Point: 96ºC
• Density: 1.102g/cm³
• Exact Mass: 98.03680
• Hazard Statements: H224-H302-H304-H315-H319-H332-H335
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• RIDADR: UN 2924 8(3) / PGII
• Safety Description: 26-36/37/39-36
• Symbol: GHS02

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is pent-2-ynoic acid.

What is the molecular formula of the compound?

The molecular formula of the compound is C5H6O2.

What is the molecular weight of the compound?

The molecular weight of the compound is 98.10 g/mol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h2H2,1H3,(H,6,7).

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

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

What is the CAS number of the compound?

The CAS number of the compound is 5963-77-9.

What is the EC number of the compound?

The EC number of the compound is 626-205-0.

What is the DSSTox Substance ID of the compound?

The DSSTox Substance ID of the compound is DTXSID70314888.

Is the compound canonicalized?

Yes, the compound is canonicalized.