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129689-88-9,MFCD06368073
Catalog No.:AA000TJ3

129689-88-9 | 3,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
1 week  
$202.00   $142.00
- +
250mg
95%
1 week  
$295.00   $207.00
- +
1g
95%
1 week  
$583.00   $408.00
- +
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Technical Information
Catalog Number:
AA000TJ3
Chemical Name:
3,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid
CAS Number:
129689-88-9
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD06368073
SMILES:
O=C1CC(C)(C)Cc2c1c(C)c([nH]2)C(=O)O
Properties
Computed Properties
 
Complexity:
337  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
1.9  

Literature
Quotation Request
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Additional Info:
SDS
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Tags:129689-88-9 Molecular Formula|129689-88-9 MDL|129689-88-9 SMILES|129689-88-9 3,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid