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80629-83-0

80629-83-0 | Octadecadienoic acid, hydroperoxy-, methyl ester

CAS No: 80629-83-0 Catalog No: AG005KED MDL No:

Product Description

Catalog Number:
AG005KED
Chemical Name:
Octadecadienoic acid, hydroperoxy-, methyl ester
CAS Number:
80629-83-0
Molecular Formula:
C19H34O4
Molecular Weight:
326.4709
IUPAC Name:
methyl 2-hydroperoxyoctadeca-2,4-dienoate
InChI:
InChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(23-21)19(20)22-2/h15-17,21H,3-14H2,1-2H3
InChI Key:
YTIKJVXFAQYSAN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC=CC=C(C(=O)OC)OO

Properties

Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.246g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
326.477g/mol
Monoisotopic Mass:
326.246g/mol
Rotatable Bond Count:
16  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2  
XLogP3:
7.7  

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