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119264-83-4 | 2-Oxiranenonanoic acid, 3-(1,2-dihydroxyheptyl)-θ-hydroxy-
CAS No: 119264-83-4 Catalog No: AG000IH7 MDL No:
Product Description
Catalog Number:
AG000IH7
Chemical Name:
2-Oxiranenonanoic acid, 3-(1,2-dihydroxyheptyl)-θ-hydroxy-
CAS Number:
119264-83-4
Molecular Formula:
C18H34O6
Molecular Weight:
346.4590
IUPAC Name:
9-[3-(1,2-dihydroxyheptyl)oxiran-2-yl]-9-hydroxynonanoic acid
InChI:
InChI=1S/C18H34O6/c1-2-3-7-10-13(19)16(23)18-17(24-18)14(20)11-8-5-4-6-9-12-15(21)22/h13-14,16-20,23H,2-12H2,1H3,(H,21,22)
InChI Key:
YLYPKKPAWGKMSA-UHFFFAOYSA-N
SMILES:
CCCCCC(C(C1OC1C(CCCCCCCC(=O)O)O)O)O
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.236g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
346.464g/mol
Monoisotopic Mass:
346.236g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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