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89538-89-6 | 1-Propanol, 3-[1-methyl-1-(phenylmethoxy)ethoxy]-, benzoate
CAS No: 89538-89-6 Catalog No: AG0040JS MDL No:
Product Description
Catalog Number:
AG0040JS
Chemical Name:
1-Propanol, 3-[1-methyl-1-(phenylmethoxy)ethoxy]-, benzoate
CAS Number:
89538-89-6
Molecular Formula:
C20H26O5
Molecular Weight:
346.4174
IUPAC Name:
benzoic acid;3-(2-phenylmethoxypropan-2-yloxy)propan-1-ol
InChI:
InChI=1S/C13H20O3.C7H6O2/c1-13(2,15-10-6-9-14)16-11-12-7-4-3-5-8-12;8-7(9)6-4-2-1-3-5-6/h3-5,7-8,14H,6,9-11H2,1-2H3;1-5H,(H,8,9)
InChI Key:
CQRNUTZFKRAHBN-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1.OCCCOC(OCc1ccccc1)(C)C
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.178g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
346.423g/mol
Monoisotopic Mass:
346.178g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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