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88519-06-6 | 7H-Pyrano[3,2-e]benzoxazol-7-one, 9-methyl-2-(propylsulfonyl)-
CAS No: 88519-06-6 Catalog No: AG008A0A MDL No:
Product Description
Catalog Number:
AG008A0A
Chemical Name:
7H-Pyrano[3,2-e]benzoxazol-7-one, 9-methyl-2-(propylsulfonyl)-
CAS Number:
88519-06-6
Molecular Formula:
C14H13NO5S
Molecular Weight:
307.3217
IUPAC Name:
9-methyl-2-propylsulfonylpyrano[3,2-e][1,3]benzoxazol-7-one
InChI:
InChI=1S/C14H13NO5S/c1-3-6-21(17,18)14-15-13-10(20-14)5-4-9-12(13)8(2)7-11(16)19-9/h4-5,7H,3,6H2,1-2H3
InChI Key:
RBUWVEPNZDRQAB-UHFFFAOYSA-N
SMILES:
CCCS(=O)(=O)c1oc2c(n1)c1c(C)cc(=O)oc1cc2
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.051g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.32g/mol
Monoisotopic Mass:
307.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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