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126882-76-6 | Phenol, 3-heneicosyl-5-methoxy-
CAS No: 126882-76-6 Catalog No: AG000TFK MDL No:MFCD17168565
Product Description
Catalog Number:
AG000TFK
Chemical Name:
Phenol, 3-heneicosyl-5-methoxy-
CAS Number:
126882-76-6
Molecular Formula:
C28H50O2
Molecular Weight:
418.6954
MDL Number:
MFCD17168565
IUPAC Name:
3-henicosyl-5-methoxyphenol
InChI:
InChI=1S/C28H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-23-27(29)25-28(24-26)30-2/h23-25,29H,3-22H2,1-2H3
InChI Key:
AOJHEUTVUIWPNX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCc1cc(O)cc(c1)OC
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.381g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
418.706g/mol
Monoisotopic Mass:
418.381g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.6
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