9-Octadecenoic acid (9Z)-, 1-[(dimethylamino)methyl]-1,2-ethanediylester


Chemical Name: 9-Octadecenoic acid (9Z)-, 1-[(dimethylamino)methyl]-1,2-ethanediylester
CAS Number: 127512-29-2
Product Number: AG000X5P(AGN-PC-0PIJUO)
Synonyms:
MDL No:
Molecular Formula: C41H77NO4
Molecular Weight: 648.0544

Identification/Properties


Computed Properties
Molecular Weight:
648.07g/mol
XLogP3:
15.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
37
Exact Mass:
647.585g/mol
Monoisotopic Mass:
647.585g/mol
Topological Polar Surface Area:
55.8A^2
Heavy Atom Count:
46
Formal Charge:
0
Complexity:
717
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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