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10252-23-0 | 11H-Phenanthro[2,3-b]thiopyran-7,12-dione
CAS No: 10252-23-0 Catalog No: AG0007N1 MDL No:
Product Description
Catalog Number:
AG0007N1
Chemical Name:
11H-Phenanthro[2,3-b]thiopyran-7,12-dione
CAS Number:
10252-23-0
Molecular Formula:
C17H10O2S
Molecular Weight:
278.3251
IUPAC Name:
11H-naphtho[1,2-g]thiochromene-7,12-dione
InChI:
InChI=1S/C17H10O2S/c18-15-13-6-3-9-20-17(13)16(19)12-8-7-10-4-1-2-5-11(10)14(12)15/h1-5,7-9H,6H2
InChI Key:
ZQRIMTOOBWDMMY-UHFFFAOYSA-N
SMILES:
O=C1C2=C(SC=CC2)C(=O)c2c1c1ccccc1cc2
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.04g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.325g/mol
Monoisotopic Mass:
278.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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