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100058-47-7 | 1,3-Oxathiolane, 2-ethyl-2-phenyl- (6CI,9CI)
CAS No: 100058-47-7 Catalog No: AG0000S3 MDL No:
Product Description
Catalog Number:
AG0000S3
Chemical Name:
1,3-Oxathiolane, 2-ethyl-2-phenyl- (6CI,9CI)
CAS Number:
100058-47-7
Molecular Formula:
C11H14OS
Molecular Weight:
194.2933
IUPAC Name:
2-ethyl-2-phenyl-1,3-oxathiolane
InChI:
InChI=1S/C11H14OS/c1-2-11(12-8-9-13-11)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChI Key:
WQZNPWBJLNMGFU-UHFFFAOYSA-N
SMILES:
CCC1(OCCS1)c1ccccc1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.077g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.292g/mol
Monoisotopic Mass:
194.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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