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88973-19-7 | 6H-Pyrano[2,3-e]benzoxazol-6-one, 7,8-dimethyl-2-[(phenylmethyl)thio]-
CAS No: 88973-19-7 Catalog No: AG0045BS MDL No:
Product Description
Catalog Number:
AG0045BS
Chemical Name:
6H-Pyrano[2,3-e]benzoxazol-6-one, 7,8-dimethyl-2-[(phenylmethyl)thio]-
CAS Number:
88973-19-7
Molecular Formula:
C19H15NO3S
Molecular Weight:
337.3923
IUPAC Name:
2-benzylsulfanyl-7,8-dimethylpyrano[2,3-e][1,3]benzoxazol-6-one
InChI:
InChI=1S/C19H15NO3S/c1-11-12(2)22-18-14(17(11)21)8-9-15-16(18)20-19(23-15)24-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
InChI Key:
ILUDSAMJADEINB-UHFFFAOYSA-N
SMILES:
Cc1oc2c3nc(oc3ccc2c(=O)c1C)SCc1ccccc1
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.077g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.393g/mol
Monoisotopic Mass:
337.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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