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189892-63-5 | 2-Propenoic acid, 3-[(9-oxo-9H-thioxanthen-2-yl)oxy]propyl ester
CAS No: 189892-63-5 Catalog No: AG002E3U MDL No:
Product Description
Catalog Number:
AG002E3U
Chemical Name:
2-Propenoic acid, 3-[(9-oxo-9H-thioxanthen-2-yl)oxy]propyl ester
CAS Number:
189892-63-5
Molecular Formula:
C19H16O4S
Molecular Weight:
340.3929
IUPAC Name:
3-(9-oxothioxanthen-2-yl)oxypropyl prop-2-enoate
InChI:
InChI=1S/C19H16O4S/c1-2-18(20)23-11-5-10-22-13-8-9-17-15(12-13)19(21)14-6-3-4-7-16(14)24-17/h2-4,6-9,12H,1,5,10-11H2
InChI Key:
DIRRJGZDFPIXQV-UHFFFAOYSA-N
SMILES:
C=CC(=O)OCCCOc1ccc2c(c1)c(=O)c1c(s2)cccc1
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.077g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.393g/mol
Monoisotopic Mass:
340.077g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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