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121637-23-8 | 1,2-Propanediol, 3-[2-hydroxy-3-(octadecyloxy)propoxy]-
CAS No: 121637-23-8 Catalog No: AG0015GG MDL No:
Product Description
Catalog Number:
AG0015GG
Chemical Name:
1,2-Propanediol, 3-[2-hydroxy-3-(octadecyloxy)propoxy]-
CAS Number:
121637-23-8
Molecular Formula:
C24H50O5
Molecular Weight:
418.6508
IUPAC Name:
3-(2-hydroxy-3-octadecoxypropoxy)propane-1,2-diol
InChI:
InChI=1S/C24H50O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28-21-24(27)22-29-20-23(26)19-25/h23-27H,2-22H2,1H3
InChI Key:
AXWBYOLYYKEMDR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOCC(COCC(CO)O)O
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.366g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
418.659g/mol
Monoisotopic Mass:
418.366g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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