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504-53-0 | 18-Pentatriacontanone
CAS No: 504-53-0 Catalog No: AG003DVV MDL No:MFCD00048491
Product Description
Catalog Number:
AG003DVV
Chemical Name:
18-Pentatriacontanone
CAS Number:
504-53-0
Molecular Formula:
C35H70O
Molecular Weight:
506.9297
MDL Number:
MFCD00048491
IUPAC Name:
pentatriacontan-18-one
InChI:
InChI=1S/C35H70O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(36)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3
InChI Key:
DMCJFWXGXUEHFD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCCC
EC Number:
207-993-1
UNII:
7IN8GA6M68
NSC Number:
83612
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
506.543g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
506.944g/mol
Monoisotopic Mass:
506.543g/mol
Rotatable Bond Count:
32
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
16.8
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