(Z)-4-(3-Hydroxynaphthalen-2-yl)-2-oxobut-3-enoic acid

Base Information

• Chemical Name: (Z)-4-(3-Hydroxynaphthalen-2-yl)-2-oxobut-3-enoic acid
• CAS No.: 613-41-2
• Molecular Formula: C14H10O4
• Molecular Weight: 242.22700
• DSSTox Substance ID: DTXSID101204086
• Mol file: 613-41-2.mol

Synonyms:613-41-2;(Z)-4-(3-Hydroxynaphthalen-2-yl)-2-oxobut-3-enoic acid;SCHEMBL12486807;DTXSID101204086;cis-4-{2'-hydroxynaphth-3-yl)-2-oxobutenoic acid;(3Z)-4-(3-Hydroxy-2-naphthalenyl)-2-oxo-3-butenoic acid

Chemical Property of (Z)-4-(3-Hydroxynaphthalen-2-yl)-2-oxobut-3-enoic acid

Chemical Property:

• Boiling Point: 477.6±37.0 °C(Predicted)
• PSA: 74.60000
• Density: 1.414±0.06 g/cm3(Predicted)
• LogP: 2.21230
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 242.05790880
• Heavy Atom Count: 18
• Complexity: 361

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C=C(C(=CC2=C1)C=CC(=O)C(=O)O)O
• Isomeric SMILES: C1=CC=C2C=C(C(=CC2=C1)/C=C\C(=O)C(=O)O)O