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Home > Other Building Blocks > 139594-80-2
139594-80-2 | Phenol, 4-[6-(hexyloxy)-2-naphthalenyl]-
CAS No: 139594-80-2 Catalog No: AG001BC2 MDL No:
Product Description
Catalog Number:
AG001BC2
Chemical Name:
Phenol, 4-[6-(hexyloxy)-2-naphthalenyl]-
CAS Number:
139594-80-2
Molecular Formula:
C22H24O2
Molecular Weight:
320.4248
IUPAC Name:
4-(6-hexoxynaphthalen-2-yl)phenol
InChI:
InChI=1S/C22H24O2/c1-2-3-4-5-14-24-22-13-10-19-15-18(6-7-20(19)16-22)17-8-11-21(23)12-9-17/h6-13,15-16,23H,2-5,14H2,1H3
InChI Key:
FNAWIYJXXRUXOV-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc2c(c1)ccc(c2)c1ccc(cc1)O
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.178g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.432g/mol
Monoisotopic Mass:
320.178g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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