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88518-95-0 | 7H-Pyrano[3,2-e]benzoxazol-7-one, 2-(ethylthio)-9-methyl-
CAS No: 88518-95-0 Catalog No: AG00482Z MDL No:
Product Description
Catalog Number:
AG00482Z
Chemical Name:
7H-Pyrano[3,2-e]benzoxazol-7-one, 2-(ethylthio)-9-methyl-
CAS Number:
88518-95-0
Molecular Formula:
C13H11NO3S
Molecular Weight:
261.2963
IUPAC Name:
2-ethylsulfanyl-9-methylpyrano[3,2-e][1,3]benzoxazol-7-one
InChI:
InChI=1S/C13H11NO3S/c1-3-18-13-14-12-9(17-13)5-4-8-11(12)7(2)6-10(15)16-8/h4-6H,3H2,1-2H3
InChI Key:
HQTBVHFPCQCFOG-UHFFFAOYSA-N
SMILES:
CCSc1oc2c(n1)c1c(C)cc(=O)oc1cc2
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.046g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.295g/mol
Monoisotopic Mass:
261.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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