Home Sulfos 3-[4-(Methylsulfonyl)phenyl]propanoic acid

3-[4-(Methylsulfonyl)phenyl]propanoic acid

CAS No.:
387350-46-1
Catalog Number:
AG00I7OG
Molecular Formula:
C10H12O4S
Molecular Weight:
228.2649
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$30
- +
5g
98%
In Stock USA
United States
$132
- +
10g
98%
In Stock USA
United States
$244
- +
25g
98%
In Stock USA
United States
$475
- +
Product Description
Catalog Number:
AG00I7OG
Chemical Name:
3-[4-(Methylsulfonyl)phenyl]propanoic acid
CAS Number:
387350-46-1
Molecular Formula:
C10H12O4S
Molecular Weight:
228.2649
MDL Number:
MFCD01319236
IUPAC Name:
3-(4-methylsulfonylphenyl)propanoic acid
InChI:
InChI=1S/C10H12O4S/c1-15(13,14)9-5-2-8(3-6-9)4-7-10(11)12/h2-3,5-6H,4,7H2,1H3,(H,11,12)
InChI Key:
ZZZBVBATZOAPQB-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.046g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.262g/mol
Monoisotopic Mass:
228.046g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties