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25990-94-7 | 2,5,8,11,14,17,20,23,26-nonaoxaheptacosane
CAS No: 25990-94-7 Catalog No: AG002RB7 MDL No:
Product Description
Catalog Number:
AG002RB7
Chemical Name:
2,5,8,11,14,17,20,23,26-nonaoxaheptacosane
CAS Number:
25990-94-7
Molecular Formula:
C18H38O9
Molecular Weight:
398.4889
IUPAC Name:
1-methoxy-2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
InChI:
InChI=1S/C18H38O9/c1-19-3-5-21-7-9-23-11-13-25-15-17-27-18-16-26-14-12-24-10-8-22-6-4-20-2/h3-18H2,1-2H3
InChI Key:
HKKZPBCWTDFVFB-UHFFFAOYSA-N
SMILES:
COCCOCCOCCOCCOCCOCCOCCOCCOC
EC Number:
247-396-3
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.252g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.493g/mol
Monoisotopic Mass:
398.252g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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