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126882-77-7 | Phenol, 3-methoxy-5-pentacosyl-
CAS No: 126882-77-7 Catalog No: AG000TFJ MDL No:
Product Description
Catalog Number:
AG000TFJ
Chemical Name:
Phenol, 3-methoxy-5-pentacosyl-
CAS Number:
126882-77-7
Molecular Formula:
C32H58O2
Molecular Weight:
474.8017
IUPAC Name:
3-methoxy-5-pentacosylphenol
InChI:
InChI=1S/C32H58O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30-27-31(33)29-32(28-30)34-2/h27-29,33H,3-26H2,1-2H3
InChI Key:
YOXCRTVPJGYGIX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCc1cc(O)cc(c1)OC
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
474.444g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
474.814g/mol
Monoisotopic Mass:
474.444g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.8
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