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86882-78-2 | 8H-Pyrano[2,3-e]benzoxazol-8-one, 6-methyl-2-(methylthio)-
CAS No: 86882-78-2 Catalog No: AG008EK6 MDL No:
Product Description
Catalog Number:
AG008EK6
Chemical Name:
8H-Pyrano[2,3-e]benzoxazol-8-one, 6-methyl-2-(methylthio)-
CAS Number:
86882-78-2
Molecular Formula:
C12H9NO3S
Molecular Weight:
247.2698
IUPAC Name:
6-methyl-2-methylsulfanylpyrano[2,3-e][1,3]benzoxazol-8-one
InChI:
InChI=1S/C12H9NO3S/c1-6-5-9(14)16-11-7(6)3-4-8-10(11)13-12(15-8)17-2/h3-5H,1-2H3
InChI Key:
YZSVBNVEPMAUHX-UHFFFAOYSA-N
SMILES:
CSc1oc2c(n1)c1oc(=O)cc(c1cc2)C
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.03g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.268g/mol
Monoisotopic Mass:
247.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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