10,12-Octadecadienoic acid, 9-hydroperoxy-, (9S,10E,12Z)-


Chemical Name: 10,12-Octadecadienoic acid, 9-hydroperoxy-, (9S,10E,12Z)-
CAS Number: 29774-12-7
Product Number: AG00BDTG(AGN-PC-0O8P15)
Synonyms:
MDL No:
Molecular Formula: C18H32O4
Molecular Weight: 312.4443

Identification/Properties


Computed Properties
Molecular Weight:
312.45g/mol
XLogP3:
5.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
15
Exact Mass:
312.23g/mol
Monoisotopic Mass:
312.23g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
310
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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