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13980-07-9,MFCD00133868
Catalog No.:AA001BN6
13980-07-9 | 2-Oxiraneoctanoic acid, 3-octyl-, (2R,3R)-rel-
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5mg
4 weeks  
$250.00
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10mg
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25mg
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50mg
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$800.00
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100mg
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  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA001BN6
Chemical Name:
2-Oxiraneoctanoic acid, 3-octyl-, (2R,3R)-rel-
CAS Number:
13980-07-9
Molecular Formula:
C18H34O3
Molecular Weight:
298.4608
MDL Number:
MFCD00133868
IUPAC Name:
8-[(2R,3R)-3-octyloxiran-2-yl]octanoic acid
InChI:
InChI=1S/C18H34O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/t16-,17-/m1/s1
InChI Key:
IMYZYCNQZDBZBQ-IAGOWNOFSA-N
SMILES:
CCCCCCCC[C@H]1O[C@@H]1CCCCCCCC(=O)O
Properties
Computed Properties
 
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
298.251g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
298.467g/mol
Monoisotopic Mass:
298.251g/mol
Rotatable Bond Count:
15  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1  

Synonyms
 
trans-9,10-Epoxystearic acid 
13980-07-9 
9,10-Epoxystearic acid, trans- 
IMYZYCNQZDBZBQ-IAGOWNOFSA-N 
ZINC8860461 
9alpha,10beta-Epoxyoctadecanoic acid 
MFCD00133868 
8-(3-Octyl-2-oxiranyl)octanoic acid, trans 
2-Oxiraneoctanoic acid, 3-octyl-, (2R,3R)-rel- 
UNII-00640UF4ZM component IMYZYCNQZDBZBQ-IAGOWNOFSA-N 
UNII-W5XZ5I3GKN component IMYZYCNQZDBZBQ-IAGOWNOFSA-N 
Epoxyoleic acid 
trans-9,10-Epoxyoctadecanoic acid 
UNII-W5XZ5I3GKN 
W5XZ5I3GKN 
AR-1H4211 
CID166956 
C18-H34-O3 
Octadecanoic acid, 9,10-epoxy-, trans- 
2443-39-2 
16459-73-7 
8-[(2r,3r)-3-octyloxiran-2-yl]octanoic acid 
Oxiraneoctanoic acid, 3-octyl-, trans- 
8-((2R,3R)-3-octyloxiran-2-yl)octanoic acid 
AI3-26308 
AC1L4Z1G 
AC1Q5W5L 
SCHEMBL5372102 
Literature
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