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170856-55-0,MFCD16659874
Catalog No.:AA00AMGF

170856-55-0 | Ethyl 2-(isochroman-1-yl)acetate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
2 weeks  
$958.00   $670.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00AMGF
Chemical Name:
Ethyl 2-(isochroman-1-yl)acetate
CAS Number:
170856-55-0
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
MDL Number:
MFCD16659874
SMILES:
CCOC(=O)CC1OCCc2c1cccc2
Properties
Computed Properties
 
Complexity:
239  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.8  

Downstream Synthesis Route

[1]TenBrink;Bergh;Duncan;Harris;Huff;Lahti;Lawson;Lutzke;Martin;Rees;Schlachter;Sih;Smith[JournalofMedicinalChemistry,1996,vol.39,#13,p.2435-2437]

Literature
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SDS
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Tags:170856-55-0 Molecular Formula|170856-55-0 MDL|170856-55-0 SMILES|170856-55-0 Ethyl 2-(isochroman-1-yl)acetate
Catalog No.: AA00AMGF
170856-55-0,MFCD16659874
170856-55-0 | Ethyl 2-(isochroman-1-yl)acetate
Pack Size： 1g
Purity： 97%
2 weeks
$958.00 $670.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00AMGF
Chemical Name: Ethyl 2-(isochroman-1-yl)acetate
CAS Number: 170856-55-0
Molecular Formula: C13H16O3
Molecular Weight: 220.2643
MDL Number: MFCD16659874
SMILES: CCOC(=O)CC1OCCc2c1cccc2
Properties
Complexity: 239  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.8  
Downstream Synthesis Route
170856-55-0    22901-11-7 

[1]TenBrink;Bergh;Duncan;Harris;Huff;Lahti;Lawson;Lutzke;Martin;Rees;Schlachter;Sih;Smith[JournalofMedicinalChemistry,1996,vol.39,#13,p.2435-2437]

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