Home Other Building Blocks 2-[(4-acetyl-2-methoxyphenyl)sulfanyl]acetic acid

2-[(4-acetyl-2-methoxyphenyl)sulfanyl]acetic acid

CAS No.:
1221724-93-1
Catalog Number:
AG01A7WS
Molecular Formula:
C11H12O4S
Molecular Weight:
240.2756
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Product Description
Catalog Number:
AG01A7WS
Chemical Name:
2-[(4-acetyl-2-methoxyphenyl)sulfanyl]acetic acid
CAS Number:
1221724-93-1
Molecular Formula:
C11H12O4S
Molecular Weight:
240.2756
MDL Number:
MFCD14705860
IUPAC Name:
2-(4-acetyl-2-methoxyphenyl)sulfanylacetic acid
InChI:
InChI=1S/C11H12O4S/c1-7(12)8-3-4-10(9(5-8)15-2)16-6-11(13)14/h3-5H,6H2,1-2H3,(H,13,14)
InChI Key:
DOYMHSDPBNBENE-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1SCC(=O)O)C(=O)C
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.046g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.273g/mol
Monoisotopic Mass:
240.046g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties