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1719-19-3,MFCD00041572
Catalog No.:AA003HKL
1719-19-3 | 2-Methyl-4-phenylbut-3-yn-2-ol
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  • Technical Information
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Technical Information
Catalog Number:
AA003HKL
Chemical Name:
2-Methyl-4-phenylbut-3-yn-2-ol
CAS Number:
1719-19-3
Molecular Formula:
C11H12O
Molecular Weight:
160.2124
MDL Number:
MFCD00041572
IUPAC Name:
2-methyl-4-phenylbut-3-yn-2-ol
InChI:
InChI=1S/C11H12O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7,12H,1-2H3
InChI Key:
FUPXYICBZMASCM-UHFFFAOYSA-N
SMILES:
CC(C#Cc1ccccc1)(O)C
NSC Number:
149374
Properties
Computed Properties
 
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.089g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.216g/mol
Monoisotopic Mass:
160.089g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Synonyms
 
2-methyl-4-phenylbut-3-yn-2-ol 
1719-19-3 
DTXSID20302174 
KS-00000N5L 
ZINC1734462 
ANW-22541 
BBL018606 
MFCD00041572 
SBB008964 
STK722016 
AKOS000313774 
MCULE-7103614746 
2-Methyl-4-phenyl-3-butyn-2-ol 
NSC-149374 
2-Hydroxy-2-methyl-4-phenyl-3-butyne 
AJ-31313 
AK-63782 
CJ-29512 
DS-15287 
TR-007564 
FT-0737994 
M1415 
T7460 
4-Phenyl-2-methyl-3-butyn-2-ol 
I14-61801 
F1011-0277 
AR-1E3693 
CID288327 
17283-75-9 
3-Butyn-2-ol, 2-methyl-4-phenyl- 
NSC149374 
ACMC-209e3j 
AC1L69BD 
SCHEMBL487465 
AC1Q28A2 
Literature

Title: Meerwein-Ponndorf-Verley alkynylation of aldehydes: essential modification of aluminium alkoxides for rate acceleration and asymmetric synthesis.

Journal: Organic & biomolecular chemistry 20041121

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