Home Other Building Blocks 9H-Thioxanthen-9-one, 2-hydroxy-

9H-Thioxanthen-9-one, 2-hydroxy-

CAS No.:
31696-67-0
Catalog Number:
AG00CMR2
Molecular Formula:
C13H8O2S
Molecular Weight:
228.2664
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Product Description
Catalog Number:
AG00CMR2
Chemical Name:
9H-Thioxanthen-9-one, 2-hydroxy-
CAS Number:
31696-67-0
Molecular Formula:
C13H8O2S
Molecular Weight:
228.2664
MDL Number:
MFCD02068912
IUPAC Name:
2-hydroxythioxanthen-9-one
InChI:
InChI=1S/C13H8O2S/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7,14H
InChI Key:
ANHLDZMOXDYFMQ-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)c(=O)c1c(s2)cccc1
Properties
Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.025g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.265g/mol
Monoisotopic Mass:
228.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties