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88519-04-4 | 7H-Pyrano[3,2-e]benzoxazol-7-one, 9-methyl-2-(methylsulfonyl)-
CAS No: 88519-04-4 Catalog No: AG0048JH MDL No:
Product Description
Catalog Number:
AG0048JH
Chemical Name:
7H-Pyrano[3,2-e]benzoxazol-7-one, 9-methyl-2-(methylsulfonyl)-
CAS Number:
88519-04-4
Molecular Formula:
C12H9NO5S
Molecular Weight:
279.2686
IUPAC Name:
9-methyl-2-methylsulfonylpyrano[3,2-e][1,3]benzoxazol-7-one
InChI:
InChI=1S/C12H9NO5S/c1-6-5-9(14)17-7-3-4-8-11(10(6)7)13-12(18-8)19(2,15)16/h3-5H,1-2H3
InChI Key:
FJPRWRGEXBLKQD-UHFFFAOYSA-N
SMILES:
O=c1cc(C)c2c(o1)ccc1c2nc(o1)S(=O)(=O)C
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.02g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.266g/mol
Monoisotopic Mass:
279.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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