Home Carboxys xanthone-2-carboxylic acid

xanthone-2-carboxylic acid

CAS No.:
40274-67-7
Catalog Number:
AG00CIQK
Molecular Formula:
C14H8O4
Molecular Weight:
240.2109
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Product Description
Catalog Number:
AG00CIQK
Chemical Name:
xanthone-2-carboxylic acid
CAS Number:
40274-67-7
Molecular Formula:
C14H8O4
Molecular Weight:
240.2109
MDL Number:
MFCD00126653
IUPAC Name:
9-oxoxanthene-2-carboxylic acid
InChI:
InChI=1S/C14H8O4/c15-13-9-3-1-2-4-11(9)18-12-6-5-8(14(16)17)7-10(12)13/h1-7H,(H,16,17)
InChI Key:
JNPRWSKMJDGYAN-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)c(=O)c1c(o2)cccc1
Properties
Complexity:
365  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.042g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.214g/mol
Monoisotopic Mass:
240.042g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
Substituted xanthones as antimycobacterial agents. Part 3: QSAR investigations. Archiv der Pharmazie 19990301
Properties