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119650-09-8 | 15,22-Heptatriacontadien-2-one, (15E,22E)-
CAS No: 119650-09-8 Catalog No: AG000PEV MDL No:
Product Description
Catalog Number:
AG000PEV
Chemical Name:
15,22-Heptatriacontadien-2-one, (15E,22E)-
CAS Number:
119650-09-8
Molecular Formula:
C37H70O
Molecular Weight:
530.9511
IUPAC Name:
heptatriaconta-15,22-dien-2-one
InChI:
InChI=1S/C37H70O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37(2)38/h16-17,23-24H,3-15,18-22,25-36H2,1-2H3
InChI Key:
GWIJSBMCDZFLTO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC/C=C/CCCCC/C=C/CCCCCCCCCCCCC(=O)C
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
530.543g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
530.966g/mol
Monoisotopic Mass:
530.543g/mol
Rotatable Bond Count:
32
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
16.3
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