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88973-17-5 | 6H-Pyrano[2,3-e]benzoxazol-6-one, 7,8-dimethyl-2-(propylthio)-
CAS No: 88973-17-5 Catalog No: AG0046UX MDL No:
Product Description
Catalog Number:
AG0046UX
Chemical Name:
6H-Pyrano[2,3-e]benzoxazol-6-one, 7,8-dimethyl-2-(propylthio)-
CAS Number:
88973-17-5
Molecular Formula:
C15H15NO3S
Molecular Weight:
289.3495
IUPAC Name:
7,8-dimethyl-2-propylsulfanylpyrano[2,3-e][1,3]benzoxazol-6-one
InChI:
InChI=1S/C15H15NO3S/c1-4-7-20-15-16-12-11(19-15)6-5-10-13(17)8(2)9(3)18-14(10)12/h5-6H,4,7H2,1-3H3
InChI Key:
DDXQOFXPDZSWGM-UHFFFAOYSA-N
SMILES:
CCCSc1oc2c(n1)c1oc(C)c(c(=O)c1cc2)C
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.077g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.349g/mol
Monoisotopic Mass:
289.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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