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89805-89-0 | 1H-2-Benzothiopyran, 3,4-dihydro-1-(methoxyphenylmethylene)-, (E)-
CAS No: 89805-89-0 Catalog No: AG003YAD MDL No:
Product Description
Catalog Number:
AG003YAD
Chemical Name:
1H-2-Benzothiopyran, 3,4-dihydro-1-(methoxyphenylmethylene)-, (E)-
CAS Number:
89805-89-0
Molecular Formula:
C17H16OS
Molecular Weight:
268.3733
IUPAC Name:
1-[methoxy(phenyl)methylidene]-3,4-dihydroisothiochromene
InChI:
InChI=1S/C17H16OS/c1-18-16(14-8-3-2-4-9-14)17-15-10-6-5-7-13(15)11-12-19-17/h2-10H,11-12H2,1H3
InChI Key:
NAXWHDVUJMFAMG-UHFFFAOYSA-N
SMILES:
CO/C(=C\1/SCCc2c1cccc2)/c1ccccc1
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.092g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.374g/mol
Monoisotopic Mass:
268.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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