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79295-14-0 | Methyl 2-(4-methoxyphenyl)sulfanylacetate
CAS No: 79295-14-0 Catalog No: AG01FBQN MDL No:MFCD11175280
Product Description
Catalog Number:
AG01FBQN
Chemical Name:
Methyl 2-(4-methoxyphenyl)sulfanylacetate
CAS Number:
79295-14-0
Molecular Formula:
C10H12O3S
Molecular Weight:
212.2655
MDL Number:
MFCD11175280
IUPAC Name:
methyl 2-(4-methoxyphenyl)sulfanylacetate
InChI:
InChI=1S/C10H12O3S/c1-12-8-3-5-9(6-4-8)14-7-10(11)13-2/h3-6H,7H2,1-2H3
InChI Key:
REBUBAFDERZGAC-UHFFFAOYSA-N
SMILES:
COC(=O)CSc1ccc(cc1)OC
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
5
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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