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40888-14-0,MFCD13195741
Catalog No.:AA003HKJ
40888-14-0 | 2-Methyl-4-(o-tolyl)but-3-yn-2-ol
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$40.00
- +
5g
98%
in stock  
$134.00
- +
25g
98%
in stock  
$400.00
- +
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA003HKJ
Chemical Name:
2-Methyl-4-(o-tolyl)but-3-yn-2-ol
CAS Number:
40888-14-0
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
MDL Number:
MFCD13195741
IUPAC Name:
2-methyl-4-(2-methylphenyl)but-3-yn-2-ol
InChI:
InChI=1S/C12H14O/c1-10-6-4-5-7-11(10)8-9-12(2,3)13/h4-7,13H,1-3H3
InChI Key:
ZVFBFIMYVLBIHJ-UHFFFAOYSA-N
SMILES:
Cc1ccccc1C#CC(O)(C)C
Properties
Computed Properties
 
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.104g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
174.243g/mol
Monoisotopic Mass:
174.104g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Synonyms
 
40888-14-0 
2-Methyl-4-o-tolylbut-3-yn-2-ol 
ZINC44831383 
AKOS006336749 
AJ-110157 
TR-036740 
2-methyl-4-(2-methylphenyl)-3-butyn-2-ol 
V5828 
2-Methyl-4-(2-methylphenyl)-3-butyne-2-ol 
K-8691 
I14-25184 
C12H14O 
2-Methyl-4-(o-tolyl)but-3-yn-2-ol 
2-Methyl-4-(2-methylphenyl)but-3-yn-2-ol 
ACMC-209jhf 
SCHEMBL14268119 
CTK4I3950 
DTXSID40578753 
ANW-29521 
MFCD13195741 
Literature
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