3-Heptyne

• CAS: 2586-89-2
• Catalog Number: ACM2586892
• Category: Alkynes
• Molecular Weight: 96.17
• Molecular Formula: C7H12
• Synonyms: 3-Heptyne, Hept-3-yne, 1-Ethyl-2-propylacetylene, 388610_ALDRICH, CID75755, EINECS 219-967-7, 2586-89-2
• IUPAC Name: hept-3-yne
• Canonical SMILES: CCCC#CCC
• InChI Key: KLYHSJRCIZOUHE-UHFFFAOYSA-N
• Boiling Point: 107.4ºC at 760mmHg
• Flash Point: -16 °C
• Density: 0.754g/cm³
• EC Number: 219-967-7
• Exact Mass: 96.09390
• Hazard Statements: H225-H304-H315-H319-H335
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• RIDADR: UN 1987C 3 / PGIII
• Safety Description: 16-26-36/37/39
• Symbol: GHS02
• WGK Germany: 3

Custom Q&A

What is the PubChem CID of 3-Heptyne?

PubChem CID 75755.

What is the molecular formula of 3-Heptyne?

The molecular formula is C7H12.

What are the synonyms for 3-Heptyne?

The synonyms for 3-Heptyne are Hept-3-yne and 1-Ethyl-2-propylacetylene.

What is the molecular weight of 3-Heptyne?

The molecular weight of 3-Heptyne is 96.17 g/mol.

What is the IUPAC name of 3-Heptyne?

The IUPAC name of 3-Heptyne is hept-3-yne.

What is the InChI of 3-Heptyne?

The InChI of 3-Heptyne is InChI=1S/C7H12/c1-3-5-7-6-4-2/h3-5H2,1-2H3.

What is the InChIKey of 3-Heptyne?

The InChIKey of 3-Heptyne is KLYHSJRCIZOUHE-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Heptyne?

The canonical SMILES of 3-Heptyne is CCCC#CCC.

What is the CAS number of 3-Heptyne?

The CAS number of 3-Heptyne is 2586-89-2.

Is 3-Heptyne a canonicalized compound?

Yes, 3-Heptyne is a canonicalized compound according to PubChem.