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77441-67-9 | Hexadecanoic acid, 9,16-dihydroxy-, methyl ester
CAS No: 77441-67-9 Catalog No: AG005BAJ MDL No:
Product Description
Catalog Number:
AG005BAJ
Chemical Name:
Hexadecanoic acid, 9,16-dihydroxy-, methyl ester
CAS Number:
77441-67-9
Molecular Formula:
C17H34O4
Molecular Weight:
302.4495
IUPAC Name:
methyl 9,16-dihydroxyhexadecanoate
InChI:
InChI=1S/C17H34O4/c1-21-17(20)14-10-6-2-4-8-12-16(19)13-9-5-3-7-11-15-18/h16,18-19H,2-15H2,1H3
InChI Key:
ATZUFGLVWAUEQF-UHFFFAOYSA-N
SMILES:
OCCCCCCCC(CCCCCCCC(=O)OC)O
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.246g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.455g/mol
Monoisotopic Mass:
302.246g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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