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Home > Other Heterocycles > 79084-18-7
79084-18-7 | Spiro[13.14]octacosan-15-one
CAS No: 79084-18-7 Catalog No: AG005MXU MDL No:
Product Description
Catalog Number:
AG005MXU
Chemical Name:
Spiro[13.14]octacosan-15-one
CAS Number:
79084-18-7
Molecular Formula:
C28H52O
Molecular Weight:
404.7119
IUPAC Name:
spiro[13.14]octacosan-28-one
InChI:
InChI=1S/C28H52O/c29-27-23-19-15-11-7-3-1-4-8-12-16-20-24-28(27)25-21-17-13-9-5-2-6-10-14-18-22-26-28/h1-26H2
InChI Key:
NUPPAYAGCHCFSQ-UHFFFAOYSA-N
SMILES:
O=C1CCCCCCCCCCCCCC21CCCCCCCCCCCCC2
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.402g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.723g/mol
Monoisotopic Mass:
404.402g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.1
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