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102013-72-9,MFCD16619222
Catalog No.:AA00068I
102013-72-9 | 3,6,9,12,15,18,21,24,27-Nonaoxaoctacosanoic acid
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Technical Information
Catalog Number:
AA00068I
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
MDL Number:
MFCD16619222
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
Computed 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  

Synonyms
 
102013-72-9 
mPEG8-CH2COOH 
AN-34266 
BP-23436 
013N729 
2,5,8,11,14,17,20,23,26-NONAOXAOCTACOSAN-28-OIC ACID 
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid 
AOKQPSPNBHUGLR-UHFFFAOYSA-N 
3,6,9,12,15,18,21,24,27-NONAOXAOCTACOSANOIC ACID 
3,6,9,12,15,18,21,24,27-Nonaoxaoctacosanoicacid 
mPEG8-acetic acid 
m-PEG9-CH2COOH 
ACMC-20m518 
SCHEMBL10019282 
CTK0G9395 
DTXSID40694785 
Literature
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