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190005-34-6 | m-Tolylsulfanyl-acetic acid methyl ester
CAS No: 190005-34-6 Catalog No: AG01FC42 MDL No:MFCD14599532
Product Description
Catalog Number:
AG01FC42
Chemical Name:
m-Tolylsulfanyl-acetic acid methyl ester
CAS Number:
190005-34-6
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
MDL Number:
MFCD14599532
IUPAC Name:
methyl 2-(3-methylphenyl)sulfanylacetate
InChI:
InChI=1S/C10H12O2S/c1-8-4-3-5-9(6-8)13-7-10(11)12-2/h3-6H,7H2,1-2H3
InChI Key:
HWYAAFRARFOFHC-UHFFFAOYSA-N
SMILES:
COC(=O)CSc1cccc(c1)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.264g/mol
Monoisotopic Mass:
196.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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