Home Other Building Blocks 3-[(3,4-dimethoxyphenyl)sulfanyl]propanoic acid

3-[(3,4-dimethoxyphenyl)sulfanyl]propanoic acid

CAS No.:
60169-56-4
Catalog Number:
AG01AK8U
Molecular Formula:
C11H14O4S
Molecular Weight:
242.2915
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Product Description
Catalog Number:
AG01AK8U
Chemical Name:
3-[(3,4-dimethoxyphenyl)sulfanyl]propanoic acid
CAS Number:
60169-56-4
Molecular Formula:
C11H14O4S
Molecular Weight:
242.2915
MDL Number:
MFCD11585775
IUPAC Name:
3-(3,4-dimethoxyphenyl)sulfanylpropanoic acid
InChI:
InChI=1S/C11H14O4S/c1-14-9-4-3-8(7-10(9)15-2)16-6-5-11(12)13/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChI Key:
HVWIZKGQLSYPCB-UHFFFAOYSA-N
SMILES:
COc1cc(SCCC(=O)O)ccc1OC
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.061g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.289g/mol
Monoisotopic Mass:
242.061g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties