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Home Other Building Blocks 161180-12-7
161180-12-7,MFCD18427705
Catalog No.:AA001S5B

161180-12-7 | 6,9,12-Octadecatrienoic acid, 2-oxo-2H-1-benzopyran-7-yl ester, (Z,Z,Z)- (9CI)

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
≥98%
in stock  
$52.00   $36.00
- +
10mg
≥98%
in stock  
$95.00   $66.00
- +
25mg
≥98%
in stock  
$222.00   $155.00
- +
50mg
≥98%
in stock  
$392.00   $274.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA001S5B
Chemical Name:
6,9,12-Octadecatrienoic acid, 2-oxo-2H-1-benzopyran-7-yl ester, (Z,Z,Z)- (9CI)
CAS Number:
161180-12-7
Molecular Formula:
C27H34O4
Molecular Weight:
422.5565
MDL Number:
MFCD18427705
SMILES:
CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)Oc1ccc2c(c1)oc(=O)cc2
Properties
Properties
 
Form:
Liquid  

Computed Properties
 
Complexity:
644  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
3  
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
15  
XLogP3:
7.8  

Literature
Quotation Request
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Additional Info:
SDS
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Tags:161180-12-7 Molecular Formula|161180-12-7 MDL|161180-12-7 SMILES|161180-12-7 6,9,12-Octadecatrienoic acid, 2-oxo-2H-1-benzopyran-7-yl ester, (Z,Z,Z)- (9CI)