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1199-06-0 | 2H-1-Benzothiopyran-2-one, 6-methyl-
CAS No: 1199-06-0 Catalog No: AG000PU6 MDL No:
Product Description
Catalog Number:
AG000PU6
Chemical Name:
2H-1-Benzothiopyran-2-one, 6-methyl-
CAS Number:
1199-06-0
Molecular Formula:
C10H8OS
Molecular Weight:
176.2349
IUPAC Name:
6-methylthiochromen-2-one
InChI:
InChI=1S/C10H8OS/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3
InChI Key:
GMBDTRTUBNHGGZ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)ccc(=O)s2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.03g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.233g/mol
Monoisotopic Mass:
176.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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