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89805-87-8 | Methanone, phenyl(1-propyl-1H-2-benzothiopyran-1-yl)-
CAS No: 89805-87-8 Catalog No: AG003ZHH MDL No:
Product Description
Catalog Number:
AG003ZHH
Chemical Name:
Methanone, phenyl(1-propyl-1H-2-benzothiopyran-1-yl)-
CAS Number:
89805-87-8
Molecular Formula:
C19H18OS
Molecular Weight:
294.4106
IUPAC Name:
phenyl-(1-propylisothiochromen-1-yl)methanone
InChI:
InChI=1S/C19H18OS/c1-2-13-19(18(20)16-9-4-3-5-10-16)17-11-7-6-8-15(17)12-14-21-19/h3-12,14H,2,13H2,1H3
InChI Key:
WMXSNJMTXCAURV-UHFFFAOYSA-N
SMILES:
CCCC1(SC=Cc2c1cccc2)C(=O)c1ccccc1
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.108g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.412g/mol
Monoisotopic Mass:
294.108g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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