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88519-00-0 | 7H-Pyrano[3,2-e]benzoxazol-7-one, 9-methyl-2-[(phenylmethyl)thio]-
CAS No: 88519-00-0 Catalog No: AG0048TM MDL No:
Product Description
Catalog Number:
AG0048TM
Chemical Name:
7H-Pyrano[3,2-e]benzoxazol-7-one, 9-methyl-2-[(phenylmethyl)thio]-
CAS Number:
88519-00-0
Molecular Formula:
C18H13NO3S
Molecular Weight:
323.3657
IUPAC Name:
2-benzylsulfanyl-9-methylpyrano[3,2-e][1,3]benzoxazol-7-one
InChI:
InChI=1S/C18H13NO3S/c1-11-9-15(20)21-13-7-8-14-17(16(11)13)19-18(22-14)23-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChI Key:
KONHFWZCQIPNEJ-UHFFFAOYSA-N
SMILES:
O=c1cc(C)c2c(o1)ccc1c2nc(o1)SCc1ccccc1
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.062g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.366g/mol
Monoisotopic Mass:
323.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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