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88948-44-1 | 1,2-Propanediol, 3-[(15-methyloctadecyl)oxy]-
CAS No: 88948-44-1 Catalog No: AG0047IX MDL No:
Product Description
Catalog Number:
AG0047IX
Chemical Name:
1,2-Propanediol, 3-[(15-methyloctadecyl)oxy]-
CAS Number:
88948-44-1
Molecular Formula:
C22H46O3
Molecular Weight:
358.5988
IUPAC Name:
3-(15-methyloctadecoxy)propane-1,2-diol
InChI:
InChI=1S/C22H46O3/c1-3-16-21(2)17-14-12-10-8-6-4-5-7-9-11-13-15-18-25-20-22(24)19-23/h21-24H,3-20H2,1-2H3
InChI Key:
UZBZUESMKWXVBH-UHFFFAOYSA-N
SMILES:
CCCC(CCCCCCCCCCCCCCOCC(CO)O)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.345g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
358.607g/mol
Monoisotopic Mass:
358.345g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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