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10154-76-4,MFCD00222077
Catalog No.:AA0004OE
10154-76-4 | 3-(Toluene-4-sulfonyl)-propionic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$131.00   $92.00
- +
500mg
95.0%
3 weeks  
$182.00   $128.00
- +
1g
95.0%
3 weeks  
$220.00   $154.00
- +
5g
3 weeks  
$829.00   $580.00
- +
  • Technical Information
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  • Q & A
  • Technical Information
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Technical Information
Catalog Number:
AA0004OE
Chemical Name:
3-(Toluene-4-sulfonyl)-propionic acid
CAS Number:
10154-76-4
Molecular Formula:
C10H12O4S
Molecular Weight:
228.2649
MDL Number:
MFCD00222077
IUPAC Name:
3-(4-methylphenyl)sulfonylpropanoic acid
InChI:
InChI=1S/C10H12O4S/c1-8-2-4-9(5-3-8)15(13,14)7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
InChI Key:
HXZLEMZJRUFEKH-UHFFFAOYSA-N
SMILES:
OC(=O)CCS(=O)(=O)c1ccc(cc1)C
Properties
Computed 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:
1  

Synonyms
 
10154-76-4 
3-[(4-methylphenyl)sulfonyl]propanoic acid 
AC1Q6TYH 
AC1Q2LG0 
Cambridge id 5210656 
Propanoic acid, 3-[(4-methylphenyl)sulfonyl]- 
Oprea1_707010 
SCHEMBL7704838 
CTK3J9887 
DTXSID60354738 
HMS1404B05 
ZINC274520 
3-(Toluene-4-sulfonyl)-propionic acid 
7360AC 
MFCD00222077 
SBB009533 
STK346692 
AKOS000114909 
MCULE-8182609599 
IDI1_007190 
3-(4-methylphenyl)sulfonylpropanoic acid 
AJ-18739 
TR-043945 
3-tosylpropanoic acid 
3-[(4-methylbenzene)sulfonyl]propanoic acid 
BB 0219420 
ST45092108 
EN300-00640 
W-6700 
AB00075205-01 
F1460-0006 
F1900-0032 
C10H12O4S 
3-(p-Tolylsulfonyl)propanoic acid 
3-(4-methylbenzenesulfonyl)propanoic acid 
AR-1F0643 
CID780814 
10162-99-9 
Propanoic acid,3-[(4-methylphenyl)sulfonyl]- 
AC1LFNAX 
BAS 06656480 
Enamine_003547 
AC1Q2LFZ 
Literature
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