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822-29-7 | 1-Tetracosanol, acetate
CAS No: 822-29-7 Catalog No: AG005H5W MDL No:
Product Description
Catalog Number:
AG005H5W
Chemical Name:
1-Tetracosanol, acetate
CAS Number:
822-29-7
Molecular Formula:
C26H54O3
Molecular Weight:
414.7052
IUPAC Name:
acetic acid;tetracosan-1-ol
InChI:
InChI=1S/C24H50O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25;1-2(3)4/h25H,2-24H2,1H3;1H3,(H,3,4)
InChI Key:
NJLWLOAEBBEREC-UHFFFAOYSA-N
SMILES:
CC(=O)O.CCCCCCCCCCCCCCCCCCCCCCCCO
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.407g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
414.715g/mol
Monoisotopic Mass:
414.407g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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