2,8-Quinolinediol

• CAS: 15450-76-7
• Catalog Number: ACM15450767
• Category: Quinolines
• Molecular Weight: 161.16g/mol
• Molecular Formula: C9H7NO2
• IUPAC Name: 8-hydroxy-1H-quinolin-2-one
• SMILES: C1=CC2=C(C(=C1)O)NC(=O)C=C2
• InChI: InChI=1S/C9H7NO2/c11-7-3-1-2-6-4-5-8(12)10-9(6)7/h1-5,11H,(H,10,12)
• InChI Key: ZXZKYYHTWHJHFT-UHFFFAOYSA-N
• Melting Point: ~290 °C (dec.)
• Appearance: White to Light Brown Powder
• Complexity: 225
• Covalently-Bonded Unit Count: 1
• Exact Mass: 161.047678g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 12
• Monoisotopic Mass: 161.047678g/mol
• NSC Number: 108383
• Rotatable Bond Count: 0
• UNII: 466PKO4UBM
• XLogP3: 1

Custom Q&A

What is the molecular formula of 2,8-Quinolinediol?

The molecular formula of 2,8-Quinolinediol is C9H7NO2.

What is the molecular weight of 2,8-Quinolinediol?

The molecular weight of 2,8-Quinolinediol is 161.16 g/mol.

What is the IUPAC name of 2,8-Quinolinediol?

The IUPAC name of 2,8-Quinolinediol is 8-hydroxy-1H-quinolin-2-one.

What is the CAS number of 2,8-Quinolinediol?

The CAS number of 2,8-Quinolinediol is 15450-76-7.

What is the InChI of 2,8-Quinolinediol?

The InChI of 2,8-Quinolinediol is InChI=1S/C9H7NO2/c11-7-3-1-2-6-4-5-8(12)10-9(6)7/h1-5,11H,(H,10,12).

What is the InChIKey of 2,8-Quinolinediol?

The InChIKey of 2,8-Quinolinediol is ZXZKYYHTWHJHFT-UHFFFAOYSA-N.

What is the Canonical SMILES of 2,8-Quinolinediol?

The Canonical SMILES of 2,8-Quinolinediol is C1=CC2=C(C(=C1)O)NC(=O)C=C2.

What is the XLogP3-AA value of 2,8-Quinolinediol?

The XLogP3-AA value of 2,8-Quinolinediol is 1.

How many hydrogen bond donor counts does 2,8-Quinolinediol have?

2,8-Quinolinediol has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 2,8-Quinolinediol have?

2,8-Quinolinediol has 2 hydrogen bond acceptor counts.

Synthetic Use

Upstream Synthesis Route 1

• 15450-72-3

• 15450-76-7

Reference: [1] Canadian Journal of Chemistry, 2005, vol. 83, # 5, p. 460 - 470

Upstream Synthesis Route 2

• 1127-45-3

• 15450-76-7

Reference: [1] Canadian Journal of Chemistry, 2005, vol. 83, # 5, p. 460 - 470
[2] Journal of Fluorescence, 2018, vol. 28, # 5, p. 1121 - 1126

Upstream Synthesis Route 3

• 148-24-3

• 15450-76-7

Reference: [1] Monatshefte fuer Chemie, 1895, vol. 16, p. 761
[2] Chemistry and Industry (London, United Kingdom), 1957, p. 1271

Downstream Synthesis Route 1

• 15450-76-7
• 108-24-7

• 15450-72-3

Reference: [1]Journal of Organic Chemistry,2010,vol. 75,p. 424 - 433

* For details of the synthesis route, please refer to the original source to ensure accuracy.