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79687-28-8 | 3,6,9,12,15,18,21-Heptaoxatricosanedioic acid, 5,19-dioxo-
CAS No: 79687-28-8 Catalog No: AG0050WV MDL No:
Product Description
Catalog Number:
AG0050WV
Chemical Name:
3,6,9,12,15,18,21-Heptaoxatricosanedioic acid, 5,19-dioxo-
CAS Number:
79687-28-8
Molecular Formula:
C16H26O13
Molecular Weight:
426.3698
IUPAC Name:
2-[2-[2-[2-[2-[2-[2-(carboxymethoxy)acetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethoxy]acetic acid
InChI:
InChI=1S/C16H26O13/c17-13(18)9-26-11-15(21)28-7-5-24-3-1-23-2-4-25-6-8-29-16(22)12-27-10-14(19)20/h1-12H2,(H,17,18)(H,19,20)
InChI Key:
GJUMVVMDDQNHDE-UHFFFAOYSA-N
SMILES:
O=C(COCC(=O)O)OCCOCCOCCOCCOC(=O)COCC(=O)O
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.137g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
426.371g/mol
Monoisotopic Mass:
426.137g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
173A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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