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113766-59-9 | 6H-Pyrano[3,2-f]benzoxazol-6-one, 1,2-dihydro-8-methyl-2-thioxo-
CAS No: 113766-59-9 Catalog No: AG0009M6 MDL No:
Product Description
Catalog Number:
AG0009M6
Chemical Name:
6H-Pyrano[3,2-f]benzoxazol-6-one, 1,2-dihydro-8-methyl-2-thioxo-
CAS Number:
113766-59-9
Molecular Formula:
C11H7NO3S
Molecular Weight:
233.2432
IUPAC Name:
8-methyl-2-sulfanylidene-1H-pyrano[3,2-f][1,3]benzoxazol-6-one
InChI:
InChI=1S/C11H7NO3S/c1-5-2-10(13)14-8-4-9-7(3-6(5)8)12-11(16)15-9/h2-4H,1H3,(H,12,16)
InChI Key:
HQKRNGJEQGPRQB-UHFFFAOYSA-N
SMILES:
O=c1cc(C)c2c(o1)cc1c(c2)[nH]c(=S)o1
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.015g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.241g/mol
Monoisotopic Mass:
233.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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