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25095-94-7 | 9H-Thioxanthene-2-carboxylic acid, 9-oxo-
CAS No: 25095-94-7 Catalog No: AG002QGF MDL No:MFCD03840789
Product Description
Catalog Number:
AG002QGF
Chemical Name:
9H-Thioxanthene-2-carboxylic acid, 9-oxo-
CAS Number:
25095-94-7
Molecular Formula:
C14H8O3S
Molecular Weight:
256.2765
MDL Number:
MFCD03840789
IUPAC Name:
9-oxothioxanthene-2-carboxylic acid
InChI:
InChI=1S/C14H8O3S/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:
PPFNJKRRFYQNLD-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)c(=O)c1c(s2)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:
3.7
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