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848814-60-8 | 1-Octadecen-3-ol, 3-methyl-18-(phenylmethoxy)-
CAS No: 848814-60-8 Catalog No: AG004W9I MDL No:
Product Description
Catalog Number:
AG004W9I
Chemical Name:
1-Octadecen-3-ol, 3-methyl-18-(phenylmethoxy)-
CAS Number:
848814-60-8
Molecular Formula:
C26H44O2
Molecular Weight:
388.6264
IUPAC Name:
3-methyl-18-phenylmethoxyoctadec-1-en-3-ol
InChI:
InChI=1S/C26H44O2/c1-3-26(2,27)22-18-13-11-9-7-5-4-6-8-10-12-14-19-23-28-24-25-20-16-15-17-21-25/h3,15-17,20-21,27H,1,4-14,18-19,22-24H2,2H3
InChI Key:
XOZSTGUQTCEINN-UHFFFAOYSA-N
SMILES:
C=CC(CCCCCCCCCCCCCCCOCc1ccccc1)(O)C
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.334g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
388.636g/mol
Monoisotopic Mass:
388.334g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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