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133217-59-1 | Propanoic acid, 2,2-dimethyl-, [[(ethylthio)carbonyl]oxy]methyl ester
CAS No: 133217-59-1 Catalog No: AG0014F9 MDL No:
Product Description
Catalog Number:
AG0014F9
Chemical Name:
Propanoic acid, 2,2-dimethyl-, [[(ethylthio)carbonyl]oxy]methyl ester
CAS Number:
133217-59-1
Molecular Formula:
C9H16O4S
Molecular Weight:
220.2859
IUPAC Name:
ethylsulfanylcarbonyloxymethyl 2,2-dimethylpropanoate
InChI:
InChI=1S/C9H16O4S/c1-5-14-8(11)13-6-12-7(10)9(2,3)4/h5-6H2,1-4H3
InChI Key:
FAFMFYZDXCDNBZ-UHFFFAOYSA-N
SMILES:
CCSC(=O)OCOC(=O)C(C)(C)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.077g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.283g/mol
Monoisotopic Mass:
220.077g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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