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84282-21-3 | Ethanol,2-[2-[[4-(2-hydroxyethoxy)-2-butyn-1-yl]oxy]ethoxy]-
CAS No: 84282-21-3 Catalog No: AG0056OP MDL No:
Product Description
Catalog Number:
AG0056OP
Chemical Name:
Ethanol,2-[2-[[4-(2-hydroxyethoxy)-2-butyn-1-yl]oxy]ethoxy]-
CAS Number:
84282-21-3
Molecular Formula:
C10H18O5
Molecular Weight:
218.2469
IUPAC Name:
2-[2-[4-(2-hydroxyethoxy)but-2-ynoxy]ethoxy]ethanol
InChI:
InChI=1S/C10H18O5/c11-3-7-13-5-1-2-6-14-9-10-15-8-4-12/h11-12H,3-10H2
InChI Key:
TWNJCZLTHAGRRE-UHFFFAOYSA-N
SMILES:
OCCOCCOCC#CCOCCO
EC Number:
282-668-5
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.249g/mol
Monoisotopic Mass:
218.115g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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