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88967-55-9

88967-55-9 | Octanoic acid, tetradecenyl ester

CAS No: 88967-55-9 Catalog No: AG0045Y3 MDL No:

Product Description

Catalog Number:
AG0045Y3
Chemical Name:
Octanoic acid, tetradecenyl ester
CAS Number:
88967-55-9
Molecular Formula:
C22H42O2
Molecular Weight:
338.5677
IUPAC Name:
tetradec-1-enyl octanoate
InChI:
InChI=1S/C22H42O2/c1-3-5-7-9-10-11-12-13-14-15-17-19-21-24-22(23)20-18-16-8-6-4-2/h19,21H,3-18,20H2,1-2H3
InChI Key:
NMPOZBAJROIZIM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC=COC(=O)CCCCCCC

Properties

Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.318g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.576g/mol
Monoisotopic Mass:
338.318g/mol
Rotatable Bond Count:
19  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
9.7  

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