2-(9H-thioxanthen-9-yl)propanedioic acid

Base Information

• Chemical Name: 2-(9H-thioxanthen-9-yl)propanedioic acid
• CAS No.: 5923-05-7
• Molecular Formula: C16H12O4S
• Molecular Weight: 300.3
• DSSTox Substance ID: DTXSID20386914
• Wikidata: Q82180673
• Mol file: 5923-05-7.mol

Synonyms:2-(9H-thioxanthen-9-yl)propanedioic acid;5923-05-7;CBMicro_021341;Oprea1_387111;DTXSID20386914;CCG-13342;BIM-0021336.P001;SR-01000223393;SR-01000223393-1

Chemical Property of 2-(9H-thioxanthen-9-yl)propanedioic acid

Chemical Property:

• Vapor Pressure: 1.7E-12mmHg at 25°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 300.04563003
• Heavy Atom Count: 21
• Complexity: 389

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C3S2)C(C(=O)O)C(=O)O