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158982-83-3 | 1,4-Benzenedimethanol, 2,5-bis(hexyloxy)-
CAS No: 158982-83-3 Catalog No: AG001R2C MDL No:
Product Description
Catalog Number:
AG001R2C
Chemical Name:
1,4-Benzenedimethanol, 2,5-bis(hexyloxy)-
CAS Number:
158982-83-3
Molecular Formula:
C20H34O4
Molecular Weight:
338.4816
IUPAC Name:
[2,5-dihexoxy-4-(hydroxymethyl)phenyl]methanol
InChI:
InChI=1S/C20H34O4/c1-3-5-7-9-11-23-19-13-18(16-22)20(14-17(19)15-21)24-12-10-8-6-4-2/h13-14,21-22H,3-12,15-16H2,1-2H3
InChI Key:
KBBZJMOHRIQCDC-UHFFFAOYSA-N
SMILES:
OCc1cc(OCCCCCC)c(cc1OCCCCCC)CO
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.246g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
338.488g/mol
Monoisotopic Mass:
338.246g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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