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1053656-79-3 | alpha, oMega-Dipropionic acid dodecaethylene glycol
CAS No: 1053656-79-3 Catalog No: AG008YWI MDL No:
Product Description
Catalog Number:
AG008YWI
Chemical Name:
alpha, oMega-Dipropionic acid dodecaethylene glycol
CAS Number:
1053656-79-3
Molecular Formula:
C30H58O17
Molecular Weight:
690.7713
IUPAC Name:
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
InChI:
InChI=1S/C30H58O17/c31-29(32)1-3-35-5-7-37-9-11-39-13-15-41-17-19-43-21-23-45-25-27-47-28-26-46-24-22-44-20-18-42-16-14-40-12-10-38-8-6-36-4-2-30(33)34/h1-28H2,(H,31,32)(H,33,34)
InChI Key:
KOVYBDAGTRVAAO-UHFFFAOYSA-N
SMILES:
OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
690.367g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
17
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
690.777g/mol
Monoisotopic Mass:
690.367g/mol
Rotatable Bond Count:
42
Topological Polar Surface Area:
195A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7
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