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89346-76-9 | Ethanol, 2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]-, benzoate
CAS No: 89346-76-9 Catalog No: AG003Z8O MDL No:
Product Description
Catalog Number:
AG003Z8O
Chemical Name:
Ethanol, 2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]-, benzoate
CAS Number:
89346-76-9
Molecular Formula:
C21H28O7
Molecular Weight:
392.4428
IUPAC Name:
benzoic acid;2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethanol
InChI:
InChI=1S/C14H22O5.C7H6O2/c15-6-7-16-8-9-17-10-11-18-12-13-19-14-4-2-1-3-5-14;8-7(9)6-4-2-1-3-5-6/h1-5,15H,6-13H2;1-5H,(H,8,9)
InChI Key:
FHHWIJOCUHHJAX-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1.OCCOCCOCCOCCOc1ccccc1
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.184g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
392.448g/mol
Monoisotopic Mass:
392.184g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
94.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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