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68987-51-9 | ethylene glycol; 2-(2-hydroxyethoxy)ethanol; 2-[2-(2-hydroxyethoxy)ethoxy]ethanol; terephthalic acid
CAS No: 68987-51-9 Catalog No: AG005ZFS MDL No:
Product Description
Catalog Number:
AG005ZFS
Chemical Name:
ethylene glycol; 2-(2-hydroxyethoxy)ethanol; 2-[2-(2-hydroxyethoxy)ethoxy]ethanol; terephthalic acid
CAS Number:
68987-51-9
Molecular Formula:
C20H36O13
Molecular Weight:
484.4920
IUPAC Name:
ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;terephthalic acid
InChI:
InChI=1S/C8H6O4.C6H14O4.C4H10O3.C2H6O2/c9-7(10)5-1-2-6(4-3-5)8(11)12;7-1-3-9-5-6-10-4-2-8;5-1-3-7-4-2-6;3-1-2-4/h1-4H,(H,9,10)(H,11,12);7-8H,1-6H2;5-6H,1-4H2;3-4H,1-2H2
InChI Key:
OQYSOCDLODJHOX-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)C(=O)O.OCCOCCOCCO.OCCOCCO.OCCO
EC Number:
273-495-6
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
484.216g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
484.495g/mol
Monoisotopic Mass:
484.216g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
224A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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