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2461-18-9 | Oxirane, 2-[(dodecyloxy)methyl]-
CAS No: 2461-18-9 Catalog No: AG002ORB MDL No:MFCD00022344
Product Description
Catalog Number:
AG002ORB
Chemical Name:
Oxirane, 2-[(dodecyloxy)methyl]-
CAS Number:
2461-18-9
Molecular Formula:
C15H30O2
Molecular Weight:
242.3975
MDL Number:
MFCD00022344
IUPAC Name:
2-(dodecoxymethyl)oxirane
InChI:
InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-15-14-17-15/h15H,2-14H2,1H3
InChI Key:
VMSIYTPWZLSMOH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOCC1OC1
EC Number:
219-554-1
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.225g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.403g/mol
Monoisotopic Mass:
242.225g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
21.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
Literature
| Title | Journal |
|---|---|
| 3-Dodec-yloxy-2-hydr-oxy-N,N,N-trimethyl-propan-1-aminium bromide. | Acta crystallographica. Section E, Structure reports online 20090801 |
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