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88518-97-2 | 7H-Pyrano[3,2-e]benzoxazol-7-one, 2-(butylthio)-9-methyl-
CAS No: 88518-97-2 Catalog No: AG008A0B MDL No:
Product Description
Catalog Number:
AG008A0B
Chemical Name:
7H-Pyrano[3,2-e]benzoxazol-7-one, 2-(butylthio)-9-methyl-
CAS Number:
88518-97-2
Molecular Formula:
C15H15NO3S
Molecular Weight:
289.3495
IUPAC Name:
2-butylsulfanyl-9-methylpyrano[3,2-e][1,3]benzoxazol-7-one
InChI:
InChI=1S/C15H15NO3S/c1-3-4-7-20-15-16-14-11(19-15)6-5-10-13(14)9(2)8-12(17)18-10/h5-6,8H,3-4,7H2,1-2H3
InChI Key:
OOWWJHWYIFDVPN-UHFFFAOYSA-N
SMILES:
CCCCSc1oc2c(n1)c1c(C)cc(=O)oc1cc2
Properties
Complexity:
412
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:
4
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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