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102013-72-9 | 3,6,9,12,15,18,21,24,27-Nonaoxaoctacosanoic acid
CAS No: 102013-72-9 Catalog No: AG0006BA MDL No:
Product Description
Catalog Number:
AG0006BA
Chemical Name:
3,6,9,12,15,18,21,24,27-Nonaoxaoctacosanoic acid
CAS Number:
102013-72-9
Molecular Formula:
C19H38O11
Molecular Weight:
442.4984
IUPAC Name:
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
InChI:
InChI=1S/C19H38O11/c1-22-2-3-23-4-5-24-6-7-25-8-9-26-10-11-27-12-13-28-14-15-29-16-17-30-18-19(20)21/h2-18H2,1H3,(H,20,21)
InChI Key:
AOKQPSPNBHUGLR-UHFFFAOYSA-N
SMILES:
COCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.241g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
442.502g/mol
Monoisotopic Mass:
442.241g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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