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138538-30-4 | 2-Oxetanone, 3-hexadecyl-4-undecylidene-
CAS No: 138538-30-4 Catalog No: AG0019ET MDL No:
Product Description
Catalog Number:
AG0019ET
Chemical Name:
2-Oxetanone, 3-hexadecyl-4-undecylidene-
CAS Number:
138538-30-4
Molecular Formula:
C30H56O2
Molecular Weight:
448.7644
IUPAC Name:
3-hexadecyl-4-undecylideneoxetan-2-one
InChI:
InChI=1S/C30H56O2/c1-3-5-7-9-11-13-14-15-16-17-19-20-22-24-26-28-29(32-30(28)31)27-25-23-21-18-12-10-8-6-4-2/h27-28H,3-26H2,1-2H3
InChI Key:
XMOHMCIQKGATRI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCC1C(=O)OC1=CCCCCCCCCCC
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.428g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
448.776g/mol
Monoisotopic Mass:
448.428g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
13.8
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