2,4-Hexadiyne-1,6-diol

• CAS: 3031-68-3
• Catalog Number: ACM3031683
• Category: Alkynes
• Molecular Weight: 110.11
• Molecular Formula: C₆H₆O₂
• Synonyms: Diacetylene glycol, 2,4-Hexadiynediol, 2,4-Hexadiyne-1,6-diol, 2,4-Hexadiyn-1,6-diol, Hexa-2,4-diyne-1,6-diol, 52490_FLUKA, NSC11686, EINECS 221-210-0, NSC 11686, SBB008793, ZINC01718504, 3031-68-3
• IUPAC Name: hexa-2,4-diyne-1,6-diol
• Canonical SMILES: C(C#CC#CCO)O
• InChI Key: JXMQYKBAZRDVTC-UHFFFAOYSA-N
• Boiling Point: 292.1ºC at 760 mmHg
• Melting Point: 109-112ºC
• Flash Point: 151ºC
• Density: 1.234g/cm³
• EC Number: 221-210-0
• Exact Mass: 110.03700
• Hazard Statements: H225-H302-H314-H334
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Safety Description: S22-S24/25
• Symbol: GHS02
• WGK Germany: 3

Custom Q&A

What is the molecular weight of 2,4-Hexadiyne-1,6-diol?

The molecular weight of 2,4-Hexadiyne-1,6-diol is 110.11 g/mol.

What is the InChIKey of 2,4-Hexadiyne-1,6-diol?

The InChIKey of 2,4-Hexadiyne-1,6-diol is JXMQYKBAZRDVTC-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 2,4-Hexadiyne-1,6-diol have?

2,4-Hexadiyne-1,6-diol has 2 hydrogen bond donor counts.

What is the topological polar surface area of 2,4-Hexadiyne-1,6-diol?

The topological polar surface area of 2,4-Hexadiyne-1,6-diol is 40.5Ų.

How many rotatable bond counts does 2,4-Hexadiyne-1,6-diol have?

2,4-Hexadiyne-1,6-diol has 1 rotatable bond count.

What is the XLogP3-AA value of 2,4-Hexadiyne-1,6-diol?

The XLogP3-AA value of 2,4-Hexadiyne-1,6-diol is -0.7.

What is the CAS number of 2,4-Hexadiyne-1,6-diol?

The CAS number of 2,4-Hexadiyne-1,6-diol is 3031-68-3.

How many heavy atom counts does 2,4-Hexadiyne-1,6-diol have?

2,4-Hexadiyne-1,6-diol has 8 heavy atom counts.

Is 2,4-Hexadiyne-1,6-diol considered to be canonicalized?

Yes, 2,4-Hexadiyne-1,6-diol is considered to be canonicalized.

What is the formal charge of 2,4-Hexadiyne-1,6-diol?

The formal charge of 2,4-Hexadiyne-1,6-diol is 0.