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

2-[(4-methoxyphenyl)sulfanyl]propanoic acid

CAS No.:
123392-37-0
Catalog Number:
AG019VVB
Molecular Formula:
C10H12O3S
Molecular Weight:
212.2655
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Product Description
Catalog Number:
AG019VVB
Chemical Name:
2-[(4-methoxyphenyl)sulfanyl]propanoic acid
CAS Number:
123392-37-0
Molecular Formula:
C10H12O3S
Molecular Weight:
212.2655
MDL Number:
MFCD09733796
IUPAC Name:
2-(4-methoxyphenyl)sulfanylpropanoic acid
InChI:
InChI=1S/C10H12O3S/c1-7(10(11)12)14-9-5-3-8(13-2)4-6-9/h3-7H,1-2H3,(H,11,12)
InChI Key:
KGMRFOXHSDWDKC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)SC(C(=O)O)C
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.051g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.263g/mol
Monoisotopic Mass:
212.051g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties