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72388-18-2 | 1-Hexadecanol,2-dodecyl-
CAS No: 72388-18-2 Catalog No: AG005HYY MDL No:MFCD27665210
Product Description
Catalog Number:
AG005HYY
Chemical Name:
1-Hexadecanol,2-dodecyl-
CAS Number:
72388-18-2
Molecular Formula:
C28H58O
Molecular Weight:
410.7595
MDL Number:
MFCD27665210
IUPAC Name:
2-dodecylhexadecan-1-ol
InChI:
InChI=1S/C28H58O/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28(27-29)25-23-21-19-17-14-12-10-8-6-4-2/h28-29H,3-27H2,1-2H3
InChI Key:
DEMBLPGWNXUBIQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCC(CCCCCCCCCCCC)CO
EC Number:
276-627-0
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.449g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
410.771g/mol
Monoisotopic Mass:
410.449g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
13.5
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