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236735-78-7 | 1-Hexanol, 6-[(4-methoxyphenyl)methoxy]-, 1-acetate
CAS No: 236735-78-7 Catalog No: AG002O3X MDL No:
Product Description
Catalog Number:
AG002O3X
Chemical Name:
1-Hexanol, 6-[(4-methoxyphenyl)methoxy]-, 1-acetate
CAS Number:
236735-78-7
Molecular Formula:
C16H24O4
Molecular Weight:
280.3594
IUPAC Name:
acetic acid;6-[(4-methoxyphenyl)methoxy]hexan-1-ol
InChI:
InChI=1S/C14H22O3.C2H4O2/c1-16-14-8-6-13(7-9-14)12-17-11-5-3-2-4-10-15;1-2(3)4/h6-9,15H,2-5,10-12H2,1H3;1H3,(H,3,4)
InChI Key:
BVLLMYNJSGHDAA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)COCCCCCCOC(=O)C
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.178g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.379g/mol
Monoisotopic Mass:
298.178g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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