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7779-81-9,MFCD00063646
Catalog No.:AA003QZT

7779-81-9 | Angelic acid isobutyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$59.00   $42.00
- +
5g
95%
in stock  
$123.00   $86.00
- +
25g
95%
in stock  
$456.00 $319.00
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003QZT
Chemical Name:
Angelic acid isobutyl ester
CAS Number:
7779-81-9
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
MDL Number:
MFCD00063646
SMILES:
C/C=C(\C(=O)OCC(C)C)/C
FEMA Number:
2180
Properties
Properties
 
BP:
176-177 °C(lit.)  
Form:
Liquid  
Refractive Index:
n20/D 1.434(lit.)  

Computed Properties
 
Complexity:
157  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
1  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.9  

Literature
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SDS
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Tags:7779-81-9 Molecular Formula|7779-81-9 MDL|7779-81-9 SMILES|7779-81-9 Angelic acid isobutyl ester
Catalog No.: AA003QZT
7779-81-9,MFCD00063646
7779-81-9 | Angelic acid isobutyl ester
Pack Size： 1g
Purity： 95%
in stock
$59.00 $42.00
Pack Size： 5g
Purity： 95%
in stock
$123.00 $86.00
Pack Size： 25g
Purity： 95%
in stock
$456.00 $319.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003QZT
Chemical Name: Angelic acid isobutyl ester
CAS Number: 7779-81-9
Molecular Formula: C9H16O2
Molecular Weight: 156.2221
MDL Number: MFCD00063646
SMILES: C/C=C(\C(=O)OCC(C)C)/C
FEMA Number: 2180
Properties
BP: 176-177 °C(lit.)  
Form: Liquid  
Refractive Index: n20/D 1.434(lit.)  
Complexity: 157  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 1  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.9  
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