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126-87-4,MFCD00021836
Catalog No.:AA000QLS

126-87-4 | 4,7-Dimethyldec-5-yne-4,7-diol

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Technical Information
Catalog Number:
AA000QLS
Chemical Name:
4,7-Dimethyldec-5-yne-4,7-diol
CAS Number:
126-87-4
Molecular Formula:
C12H22O2
Molecular Weight:
198.3019
MDL Number:
MFCD00021836
SMILES:
CCCC(C#CC(CCC)(O)C)(O)C
NSC Number:
5625
Properties
Properties
 
BP:
228.7°C at 760 mmHg  
Form:
Solid  
MP:
67-70°C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
213  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
2  
XLogP3:
1.9  

Literature
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Tags:126-87-4 Molecular Formula|126-87-4 MDL|126-87-4 SMILES|126-87-4 4,7-Dimethyldec-5-yne-4,7-diol