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89706-31-0 | 2H-Thiopyranium, 1-[2,5-bis(acetyloxy)phenyl]tetrahydro-, chloride
CAS No: 89706-31-0 Catalog No: AG0042LK MDL No:
Product Description
Catalog Number:
AG0042LK
Chemical Name:
2H-Thiopyranium, 1-[2,5-bis(acetyloxy)phenyl]tetrahydro-, chloride
CAS Number:
89706-31-0
Molecular Formula:
C15H19ClO4S
Molecular Weight:
330.8270
IUPAC Name:
[4-acetyloxy-3-(thian-1-ium-1-yl)phenyl] acetate;chloride
InChI:
InChI=1S/C15H19O4S.ClH/c1-11(16)18-13-6-7-14(19-12(2)17)15(10-13)20-8-4-3-5-9-20;/h6-7,10H,3-5,8-9H2,1-2H3;1H/q+1;/p-1
InChI Key:
FOXVWGMIGOZQCI-UHFFFAOYSA-M
SMILES:
CC(=O)Oc1ccc(c(c1)[S+]1CCCCC1)OC(=O)C.[Cl-]
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.069g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.823g/mol
Monoisotopic Mass:
330.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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