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189872-43-3 | 4H-1-Benzopyran-4-one, 7-methoxy-2-(methylthio)-3-phenyl-
CAS No: 189872-43-3 Catalog No: AG002E2T MDL No:
Product Description
Catalog Number:
AG002E2T
Chemical Name:
4H-1-Benzopyran-4-one, 7-methoxy-2-(methylthio)-3-phenyl-
CAS Number:
189872-43-3
Molecular Formula:
C17H14O3S
Molecular Weight:
298.3563
IUPAC Name:
7-methoxy-2-methylsulfanyl-3-phenylchromen-4-one
InChI:
InChI=1S/C17H14O3S/c1-19-12-8-9-13-14(10-12)20-17(21-2)15(16(13)18)11-6-4-3-5-7-11/h3-10H,1-2H3
InChI Key:
ONPDSGHHQIPIKK-UHFFFAOYSA-N
SMILES:
CSc1oc2cc(OC)ccc2c(=O)c1c1ccccc1
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.066g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.356g/mol
Monoisotopic Mass:
298.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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