Home Other Building Blocks 3-(methylsulfanyl)-2-phenylpropanoic acid

3-(methylsulfanyl)-2-phenylpropanoic acid

CAS No.:
858208-68-1
Catalog Number:
AG01AKYQ
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
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Product Description
Catalog Number:
AG01AKYQ
Chemical Name:
3-(methylsulfanyl)-2-phenylpropanoic acid
CAS Number:
858208-68-1
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
MDL Number:
MFCD17288065
IUPAC Name:
3-methylsulfanyl-2-phenylpropanoic acid
InChI:
InChI=1S/C10H12O2S/c1-13-7-9(10(11)12)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,11,12)
InChI Key:
YKIZRLIHXOESLE-UHFFFAOYSA-N
SMILES:
CSCC(c1ccccc1)C(=O)O
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.056g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.264g/mol
Monoisotopic Mass:
196.056g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties