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18912-82-8 | Ethanol, 2-[2-(3-methylbutoxy)ethoxy]-
CAS No: 18912-82-8 Catalog No: AG002HX1 MDL No:
Product Description
Catalog Number:
AG002HX1
Chemical Name:
Ethanol, 2-[2-(3-methylbutoxy)ethoxy]-
CAS Number:
18912-82-8
Molecular Formula:
C9H20O3
Molecular Weight:
176.2533
IUPAC Name:
2-[2-(3-methylbutoxy)ethoxy]ethanol
InChI:
InChI=1S/C9H20O3/c1-9(2)3-5-11-7-8-12-6-4-10/h9-10H,3-8H2,1-2H3
InChI Key:
AVHNOTCXRFERQM-UHFFFAOYSA-N
SMILES:
OCCOCCOCCC(C)C
Properties
Complexity:
83.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.141g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.256g/mol
Monoisotopic Mass:
176.141g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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