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102340-68-1 | Acetic acid, [(R)-(4-methylphenyl)sulfinyl]-, methyl ester (9CI)
CAS No: 102340-68-1 Catalog No: AG00078E MDL No:
Product Description
Catalog Number:
AG00078E
Chemical Name:
Acetic acid, [(R)-(4-methylphenyl)sulfinyl]-, methyl ester (9CI)
CAS Number:
102340-68-1
Molecular Formula:
C10H12O3S
Molecular Weight:
212.2655
IUPAC Name:
methyl 2-[(R)-(4-methylphenyl)sulfinyl]acetate
InChI:
InChI=1S/C10H12O3S/c1-8-3-5-9(6-4-8)14(12)7-10(11)13-2/h3-6H,7H2,1-2H3/t14-/m1/s1
InChI Key:
OYRGZVMTNKAJPR-CQSZACIVSA-N
SMILES:
COC(=O)C[S@@](=O)c1ccc(cc1)C
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
212.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.263g/mol
Monoisotopic Mass:
212.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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