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137992-83-7 | Acetic acid, 2-(phenylthio)-, 2-phenoxyethyl ester
CAS No: 137992-83-7 Catalog No: AG0017SJ MDL No:
Product Description
Catalog Number:
AG0017SJ
Chemical Name:
Acetic acid, 2-(phenylthio)-, 2-phenoxyethyl ester
CAS Number:
137992-83-7
Molecular Formula:
C16H16O3S
Molecular Weight:
288.3614
IUPAC Name:
2-phenoxyethyl 2-phenylsulfanylacetate
InChI:
InChI=1S/C16H16O3S/c17-16(13-20-15-9-5-2-6-10-15)19-12-11-18-14-7-3-1-4-8-14/h1-10H,11-13H2
InChI Key:
BEZILNZJKBEXRD-UHFFFAOYSA-N
SMILES:
O=C(CSc1ccccc1)OCCOc1ccccc1
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.082g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.361g/mol
Monoisotopic Mass:
288.082g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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