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138852-21-8 | 1-Propanol, 3-[(2-methyloctadecyl)oxy]-2-(phenylmethoxy)-
CAS No: 138852-21-8 Catalog No: AG0019PW MDL No:
Product Description
Catalog Number:
AG0019PW
Chemical Name:
1-Propanol, 3-[(2-methyloctadecyl)oxy]-2-(phenylmethoxy)-
CAS Number:
138852-21-8
Molecular Formula:
C29H52O3
Molecular Weight:
448.7214
IUPAC Name:
3-(2-methyloctadecoxy)-2-phenylmethoxypropan-1-ol
InChI:
InChI=1S/C29H52O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-27(2)24-31-26-29(23-30)32-25-28-21-18-16-19-22-28/h16,18-19,21-22,27,29-30H,3-15,17,20,23-26H2,1-2H3
InChI Key:
NPPNZYAPRVLDKK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCC(COCC(OCc1ccccc1)CO)C
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.392g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
448.732g/mol
Monoisotopic Mass:
448.392g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
10.1
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