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113568-59-5

113568-59-5 | Propanedioic acid, 2,2-dimethyl-, 1-[(methylthio)methyl] ester

CAS No: 113568-59-5 Catalog No: AG00090F MDL No:

Product Description

Catalog Number:
AG00090F
Chemical Name:
Propanedioic acid, 2,2-dimethyl-, 1-[(methylthio)methyl] ester
CAS Number:
113568-59-5
Molecular Formula:
C7H11O4S-
Molecular Weight:
191.2248
IUPAC Name:
2,2-dimethyl-3-(methylsulfanylmethoxy)-3-oxopropanoate
InChI:
InChI=1S/C7H12O4S/c1-7(2,5(8)9)6(10)11-4-12-3/h4H2,1-3H3,(H,8,9)/p-1
InChI Key:
HHHAHLLYPCHEKM-UHFFFAOYSA-M
SMILES:
CSCOC(=O)C(C(=O)[O-])(C)C

Properties

Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.038g/mol
Formal Charge:
-1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.221g/mol
Monoisotopic Mass:
191.038g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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