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1032347-93-5 | Thio-PEG12-acid
CAS No: 1032347-93-5 Catalog No: AG00911S MDL No:
Product Description
Catalog Number:
AG00911S
Chemical Name:
Thio-PEG12-acid
CAS Number:
1032347-93-5
Molecular Formula:
C27H54O14S
Molecular Weight:
634.7743
IUPAC Name:
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
InChI:
InChI=1S/C27H54O14S/c28-27(29)1-2-30-3-4-31-5-6-32-7-8-33-9-10-34-11-12-35-13-14-36-15-16-37-17-18-38-19-20-39-21-22-40-23-24-41-25-26-42/h42H,1-26H2,(H,28,29)
InChI Key:
JUDURFKNRMLTLG-UHFFFAOYSA-N
SMILES:
SCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
634.323g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
634.775g/mol
Monoisotopic Mass:
634.323g/mol
Rotatable Bond Count:
38
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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