91702-98-6,MFCD00236751
Catalog No.:AA00IGRN

91702-98-6 | 2-[(Acetylthio)methyl]-3-phenylpropionic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
10g
97%
in stock  
$22.00   $16.00
- +
25g
97%
in stock  
$35.00   $25.00
- +
100g
97%
in stock  
$118.00   $83.00
- +
  • Technical Information
  • Properties
  • Literature
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Technical Information
Catalog Number:
AA00IGRN
Chemical Name:
2-[(Acetylthio)methyl]-3-phenylpropionic acid
CAS Number:
91702-98-6
Molecular Formula:
C12H14O3S
Molecular Weight:
238.3028
MDL Number:
MFCD00236751
SMILES:
CC(=O)SCC(CC1=CC=CC=C1)C(=O)O
Properties
Computed Properties
 
Complexity:
247  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.1  

Literature
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Additional Info:
SDS
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Tags:91702-98-6 Molecular Formula|91702-98-6 MDL|91702-98-6 SMILES|91702-98-6 2-[(Acetylthio)methyl]-3-phenylpropionic acid
Catalog No.: AA00IGRN
91702-98-6,MFCD00236751
91702-98-6 | 2-[(Acetylthio)methyl]-3-phenylpropionic acid
Pack Size: 10g
Purity: 97%
in stock
$22.00 $16.00
Pack Size: 25g
Purity: 97%
in stock
$35.00 $25.00
Pack Size: 100g
Purity: 97%
in stock
$118.00 $83.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA00IGRN
Chemical Name: 2-[(Acetylthio)methyl]-3-phenylpropionic acid
CAS Number: 91702-98-6
Molecular Formula: C12H14O3S
Molecular Weight: 238.3028
MDL Number: MFCD00236751
SMILES: CC(=O)SCC(CC1=CC=CC=C1)C(=O)O
Properties
Complexity: 247  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.1  
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