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127017-97-4 | 2,5,8,11-Tetraoxatridecan-13-ol, 1-oxo-1-phenyl-
CAS No: 127017-97-4 Catalog No: AG000WK9 MDL No:
Product Description
Catalog Number:
AG000WK9
Chemical Name:
2,5,8,11-Tetraoxatridecan-13-ol, 1-oxo-1-phenyl-
CAS Number:
127017-97-4
Molecular Formula:
C15H22O6
Molecular Weight:
298.3316
IUPAC Name:
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl benzoate
InChI:
InChI=1S/C15H22O6/c16-6-7-18-8-9-19-10-11-20-12-13-21-15(17)14-4-2-1-3-5-14/h1-5,16H,6-13H2
InChI Key:
WHHVSGJUOCTHJP-UHFFFAOYSA-N
SMILES:
OCCOCCOCCOCCOC(=O)c1ccccc1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.335g/mol
Monoisotopic Mass:
298.142g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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