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189898-30-4 | Nonacosanedione (9CI)
CAS No: 189898-30-4 Catalog No: AG002E3J MDL No:
Product Description
Catalog Number:
AG002E3J
Chemical Name:
Nonacosanedione (9CI)
CAS Number:
189898-30-4
Molecular Formula:
C29H56O2
Molecular Weight:
436.7537
IUPAC Name:
nonacosane-2,3-dione
InChI:
InChI=1S/C29H56O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29(31)28(2)30/h3-27H2,1-2H3
InChI Key:
UFIKRUYQLDPQDR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)C(=O)C
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.428g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
436.765g/mol
Monoisotopic Mass:
436.428g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.9
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