Home Other Building Blocks 3-[(2-methoxy-2-oxoethyl)sulfanyl]propanoic acid

3-[(2-methoxy-2-oxoethyl)sulfanyl]propanoic acid

CAS No.:
93274-67-0
Catalog Number:
AG01A9Q9
Molecular Formula:
C6H10O4S
Molecular Weight:
178.2062
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Product Description
Catalog Number:
AG01A9Q9
Chemical Name:
3-[(2-methoxy-2-oxoethyl)sulfanyl]propanoic acid
CAS Number:
93274-67-0
Molecular Formula:
C6H10O4S
Molecular Weight:
178.2062
MDL Number:
MFCD11646610
IUPAC Name:
3-(2-methoxy-2-oxoethyl)sulfanylpropanoic acid
InChI:
InChI=1S/C6H10O4S/c1-10-6(9)4-11-3-2-5(7)8/h2-4H2,1H3,(H,7,8)
InChI Key:
KNBKPLSCDWAFFY-UHFFFAOYSA-N
SMILES:
COC(=O)CSCCC(=O)O
Properties
Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.03g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.202g/mol
Monoisotopic Mass:
178.03g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties