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827604-05-7 | Acetic acid, [(S)-(diphenylmethyl)sulfinyl]-, ethyl ester
CAS No: 827604-05-7 Catalog No: AG004YT0 MDL No:
Product Description
Catalog Number:
AG004YT0
Chemical Name:
Acetic acid, [(S)-(diphenylmethyl)sulfinyl]-, ethyl ester
CAS Number:
827604-05-7
Molecular Formula:
C17H18O3S
Molecular Weight:
302.3880
IUPAC Name:
ethyl 2-[(S)-benzhydrylsulfinyl]acetate
InChI:
InChI=1S/C17H18O3S/c1-2-20-16(18)13-21(19)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17H,2,13H2,1H3/t21-/m0/s1
InChI Key:
XQVZQTKFGQJNTO-NRFANRHFSA-N
SMILES:
CCOC(=O)C[S@](=O)C(c1ccccc1)c1ccccc1
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
302.098g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.388g/mol
Monoisotopic Mass:
302.098g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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