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91805-17-3,MFCD16878977
Catalog No.:AA003HOU
91805-17-3 | 2-Naphthyl propiolate
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
3 weeks  
$215.00   $151.00
- +
5mg
3 weeks  
$232.00   $162.00
- +
10mg
3 weeks  
$265.00   $186.00
- +
20mg
3 weeks  
$325.00   $228.00
- +
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Technical Information
Catalog Number:
AA003HOU
Chemical Name:
2-Naphthyl propiolate
CAS Number:
91805-17-3
Molecular Formula:
C13H8O2
Molecular Weight:
196.2014
MDL Number:
MFCD16878977
IUPAC Name:
naphthalen-2-yl prop-2-ynoate
InChI:
InChI=1S/C13H8O2/c1-2-13(14)15-12-8-7-10-5-3-4-6-11(10)9-12/h1,3-9H
InChI Key:
ANECZRYIRALULR-UHFFFAOYSA-N
SMILES:
C#CC(=O)Oc1ccc2c(c1)cccc2
Properties
Computed Properties
 
Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.052g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.205g/mol
Monoisotopic Mass:
196.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Synonyms
 
2-Naphthyl propiolate 
91805-17-3 
ZINC71773460 
AKOS025295916 
KS-000029U7 
NS-00079 
DB-079178 
TC-170392 
FT-0709589 
Naphthalen-2-yl prop-2-ynoate 
ACMC-20anpd 
Naphthalen-2-yl propiolate 
2-Naphthyl propiolate, 95% 
Propiolic acid 2-naphthyl ester 
SCHEMBL11010762 
CTK8C6023 
DTXSID90746400 
Literature
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