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834-54-8 | 7-methoxy-2-phenyl-4h-thiochromen-4-one
CAS No: 834-54-8 Catalog No: AG004ROJ MDL No:
Product Description
Catalog Number:
AG004ROJ
Chemical Name:
7-methoxy-2-phenyl-4h-thiochromen-4-one
CAS Number:
834-54-8
Molecular Formula:
C16H12O2S
Molecular Weight:
268.3303
IUPAC Name:
2-(chloromethyl)-2-[(4-chlorophenoxy)methyl]propane-1,3-diol
InChI:
InChI=1S/C11H14Cl2O3/c12-5-11(6-14,7-15)8-16-10-3-1-9(13)2-4-10/h1-4,14-15H,5-8H2
InChI Key:
SDIQUCAFHQLQBM-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)sc(cc2=O)c1ccccc1
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.032g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.13g/mol
Monoisotopic Mass:
264.032g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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