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88519-05-5 | 7H-Pyrano[3,2-e]benzoxazol-7-one, 2-(ethylsulfonyl)-9-methyl-
CAS No: 88519-05-5 Catalog No: AG0048JG MDL No:
Product Description
Catalog Number:
AG0048JG
Chemical Name:
7H-Pyrano[3,2-e]benzoxazol-7-one, 2-(ethylsulfonyl)-9-methyl-
CAS Number:
88519-05-5
Molecular Formula:
C13H11NO5S
Molecular Weight:
293.2951
IUPAC Name:
2-ethylsulfonyl-9-methylpyrano[3,2-e][1,3]benzoxazol-7-one
InChI:
InChI=1S/C13H11NO5S/c1-3-20(16,17)13-14-12-9(19-13)5-4-8-11(12)7(2)6-10(15)18-8/h4-6H,3H2,1-2H3
InChI Key:
ZNJYICSMVKNFEK-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)c1oc2c(n1)c1c(C)cc(=O)oc1cc2
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.036g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.293g/mol
Monoisotopic Mass:
293.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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