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15128-44-6 | 4H-Naphtho[1,2-b]thiopyran-4-one
CAS No: 15128-44-6 Catalog No: AG001N8A MDL No:
Product Description
Catalog Number:
AG001N8A
Chemical Name:
4H-Naphtho[1,2-b]thiopyran-4-one
CAS Number:
15128-44-6
Molecular Formula:
C13H8OS
Molecular Weight:
212.2670
IUPAC Name:
benzo[h]thiochromen-4-one
InChI:
InChI=1S/C13H8OS/c14-12-7-8-15-13-10-4-2-1-3-9(10)5-6-11(12)13/h1-8H
InChI Key:
NZFGSFTYBHQLAZ-UHFFFAOYSA-N
SMILES:
O=c1ccsc2c1ccc1c2cccc1
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.266g/mol
Monoisotopic Mass:
212.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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