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10108-23-3 | Octadecanoic acid, 3-hydroxypropyl ester
CAS No: 10108-23-3 Catalog No: AG0003OD MDL No:
Product Description
Catalog Number:
AG0003OD
Chemical Name:
Octadecanoic acid, 3-hydroxypropyl ester
CAS Number:
10108-23-3
Molecular Formula:
C21H42O3
Molecular Weight:
342.5564
IUPAC Name:
3-hydroxypropyl octadecanoate
InChI:
InChI=1S/C21H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(23)24-20-17-19-22/h22H,2-20H2,1H3
InChI Key:
TVFNPSNDNZSCBM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)OCCCO
UNII:
PPN4O3JW0B
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.313g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.564g/mol
Monoisotopic Mass:
342.313g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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