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823816-13-3 | 1-Hexanol, 6-[3,5-bis(methoxymethyl)-2,4,6-trimethylphenoxy]-
CAS No: 823816-13-3 Catalog No: AG004X1H MDL No:
Product Description
Catalog Number:
AG004X1H
Chemical Name:
1-Hexanol, 6-[3,5-bis(methoxymethyl)-2,4,6-trimethylphenoxy]-
CAS Number:
823816-13-3
Molecular Formula:
C19H32O4
Molecular Weight:
324.4550
IUPAC Name:
6-[3,5-bis(methoxymethyl)-2,4,6-trimethylphenoxy]hexan-1-ol
InChI:
InChI=1S/C19H32O4/c1-14-17(12-21-4)15(2)19(16(3)18(14)13-22-5)23-11-9-7-6-8-10-20/h20H,6-13H2,1-5H3
InChI Key:
SJLOJPDOCDJYKM-UHFFFAOYSA-N
SMILES:
COCc1c(C)c(OCCCCCCO)c(c(c1C)COC)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.23g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.461g/mol
Monoisotopic Mass:
324.23g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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