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172422-02-5,MFCD01869157
Catalog No.:AA007VSR

172422-02-5 | Propanoicacid, 3-isothiocyanato-, 1,1-dimethylethyl ester (9CI)

Pack Size
Purity
Availability
Price(USD)
Quantity
  
500mg
99%
1 week  
$277.00   $194.00
- +
1g
99%
1 week  
$388.00   $272.00
- +
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Technical Information
Catalog Number:
AA007VSR
Chemical Name:
Propanoicacid, 3-isothiocyanato-, 1,1-dimethylethyl ester (9CI)
CAS Number:
172422-02-5
Molecular Formula:
C8H13NO2S
Molecular Weight:
187.2593
MDL Number:
MFCD01869157
SMILES:
S=C=NCCC(=O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
202  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
5  
XLogP3:
2.4  

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SDS
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Tags:172422-02-5 Molecular Formula|172422-02-5 MDL|172422-02-5 SMILES|172422-02-5 Propanoicacid, 3-isothiocyanato-, 1,1-dimethylethyl ester (9CI)