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1555-53-9 | 9-Octadecenoic acid (9Z)-, magnesium salt (2:1)
CAS No: 1555-53-9 Catalog No: AG001NYT MDL No:MFCD00152605
Product Description
Catalog Number:
AG001NYT
Chemical Name:
9-Octadecenoic acid (9Z)-, magnesium salt (2:1)
CAS Number:
1555-53-9
Molecular Formula:
C36H66MgO4
Molecular Weight:
587.2118
MDL Number:
MFCD00152605
IUPAC Name:
magnesium;(Z)-octadec-9-enoate
InChI:
InChI=1S/2C18H34O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2/b2*10-9-;
InChI Key:
TYYXXEAZZVHRDF-CVBJKYQLSA-L
SMILES:
CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Mg+2]
EC Number:
216-303-8
UNII:
45SH0X7R1E
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
586.481g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
587.225g/mol
Monoisotopic Mass:
586.481g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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