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22986-69-2 | 17-Tritriacontanone
CAS No: 22986-69-2 Catalog No: AG002LSC MDL No:
Product Description
Catalog Number:
AG002LSC
Chemical Name:
17-Tritriacontanone
CAS Number:
22986-69-2
Molecular Formula:
C33H66O
Molecular Weight:
478.8765
IUPAC Name:
tritriacontan-17-one
InChI:
InChI=1S/C33H66O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(34)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
InChI Key:
ODRZDGZUYNRFMX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCC
EC Number:
245-368-5
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
478.511g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
478.89g/mol
Monoisotopic Mass:
478.511g/mol
Rotatable Bond Count:
30
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15.7
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