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59725-61-0,MFCD00052860
Catalog No.:AA003LEI

59725-61-0 | 1-Oxo-2,3-dihydro-1h-inden-4-yl benzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
500mg
95%
in stock  
$127.00   $89.00
- +
1g
95%
in stock  
$204.00   $143.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003LEI
Chemical Name:
1-Oxo-2,3-dihydro-1h-inden-4-yl benzoate
CAS Number:
59725-61-0
Molecular Formula:
C16H12O3
Molecular Weight:
252.2647
MDL Number:
MFCD00052860
SMILES:
O=C(c1ccccc1)Oc1cccc2c1CCC2=O
Properties
Properties
 
BP:
469.6°C at 760 mmHg  
Form:
Solid  
MP:
78-82 °C (lit.)  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
357  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.1  

Upstream Synthesis Route

[1]JournalofMedicinalChemistry,1985,vol.28,#4,p.515-518

[1]Patent:WO2010/127855,2010,A1,.Locationinpatent:Page/Pagecolumn106;107

[2]JournalofMedicinalChemistry,1985,vol.28,#4,p.515-518

Literature
Quotation Request
Company Name:
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Quantity Required:
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Additional Info:
Submit
SDS
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Tags:59725-61-0 Molecular Formula|59725-61-0 MDL|59725-61-0 SMILES|59725-61-0 1-Oxo-2,3-dihydro-1h-inden-4-yl benzoate
Catalog No.: AA003LEI
59725-61-0,MFCD00052860
59725-61-0 | 1-Oxo-2,3-dihydro-1h-inden-4-yl benzoate
Pack Size： 500mg
Purity： 95%
in stock
$127.00 $89.00
Pack Size： 1g
Purity： 95%
in stock
$204.00 $143.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003LEI
Chemical Name: 1-Oxo-2,3-dihydro-1h-inden-4-yl benzoate
CAS Number: 59725-61-0
Molecular Formula: C16H12O3
Molecular Weight: 252.2647
MDL Number: MFCD00052860
SMILES: O=C(c1ccccc1)Oc1cccc2c1CCC2=O
Properties
BP: 469.6°C at 760 mmHg  
Form: Solid  
MP: 78-82 °C (lit.)  
Storage: Keep in dry area;2-8℃;  
Complexity: 357  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 19  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.1  
Upstream Synthesis Route
59725-61-0    13336-31-7 

[1]JournalofMedicinalChemistry,1985,vol.28,#4,p.515-518

59725-61-0    40731-98-4 

[1]Patent:WO2010/127855,2010,A1,.Locationinpatent:Page/Pagecolumn106;107

[2]JournalofMedicinalChemistry,1985,vol.28,#4,p.515-518

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