Home Carboxys 9-oxo-9H-thioxanthene-3-carboxylic acid

9-oxo-9H-thioxanthene-3-carboxylic acid

CAS No.:
51762-88-0
Catalog Number:
AG01EKL3
Molecular Formula:
C14H8O3S
Molecular Weight:
256.2765
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01EKL3
Chemical Name:
9-oxo-9H-thioxanthene-3-carboxylic acid
CAS Number:
51762-88-0
Molecular Formula:
C14H8O3S
Molecular Weight:
256.2765
MDL Number:
MFCD18969869
IUPAC Name:
9-oxothioxanthene-3-carboxylic acid
InChI:
InChI=1S/C14H8O3S/c15-13-9-3-1-2-4-11(9)18-12-7-8(14(16)17)5-6-10(12)13/h1-7H,(H,16,17)
InChI Key:
KAVCRNNWZSTKGM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)sc1c(c2=O)cccc1
Properties
Complexity:
368  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.019g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
256.275g/mol
Monoisotopic Mass:
256.019g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
79.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties