4-[(3-Carboxy-4-oxonaphthalen-1-ylidene)-phenylmethyl]-1-hydroxynaphthalene-2-carboxylic acid

Base Information

• Chemical Name: 4-[(3-Carboxy-4-oxonaphthalen-1-ylidene)-phenylmethyl]-1-hydroxynaphthalene-2-carboxylic acid
• CAS No.: 5715-76-4
• Molecular Formula: C29H18 O6 . 2 Na
• Molecular Weight: 506.41
• European Community (EC) Number: 227-212-8
• Mol file: 5715-76-4.mol

Synonyms:4-[(3-carboxy-4-oxonaphthalen-1-ylidene)-phenylmethyl]-1-hydroxynaphthalene-2-carboxylic acid;5715-76-4;4-((3-carboxy-4-hydroxy-1-naphthyl)(phenyl)methylene)-1-oxo-1,4-dihydro-2-naphthalenecarboxylic acid;NSC326211;NCIStruc1_000066;NCIStruc1_000070;NCIStruc2_001720;NCIStruc2_001932;SCHEMBL12431003;NCI60_002826;NCI60_004806

Chemical Property of 4-[(3-Carboxy-4-oxonaphthalen-1-ylidene)-phenylmethyl]-1-hydroxynaphthalene-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 7.91E-20mmHg at 25°C
• Boiling Point: 687.2°Cat760mmHg
• Flash Point: 383.4°C
• PSA: 117.56000
• Density: 1.465g/cm³
• LogP: 2.74060
• XLogP3: 7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 462.11033829
• Heavy Atom Count: 35
• Complexity: 926

Purity/Quality:

99% ^*data from raw suppliers

Naphthochrome Green Dye content 10% ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=C2C=C(C(=O)C3=CC=CC=C32)C(=O)O)C4=CC(=C(C5=CC=CC=C54)O)C(=O)O