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65919-76-8 | 1-(5-tetradecyl-4,5-dihydro-1,2-oxazol-3-yl)pentadecan-1-one
CAS No: 65919-76-8 Catalog No: AG006MHV MDL No:
Product Description
Catalog Number:
AG006MHV
Chemical Name:
1-(5-tetradecyl-4,5-dihydro-1,2-oxazol-3-yl)pentadecan-1-one
CAS Number:
65919-76-8
Molecular Formula:
C32H61NO2
Molecular Weight:
491.8322
IUPAC Name:
1-(5-tetradecyl-4,5-dihydro-1,2-oxazol-3-yl)pentadecan-1-one
InChI:
InChI=1S/C32H61NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-29-31(33-35-30)32(34)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h30H,3-29H2,1-2H3
InChI Key:
LPRRBWAACXNADZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCC1ON=C(C1)C(=O)CCCCCCCCCCCCCC
NSC Number:
138161
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
491.47g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
491.845g/mol
Monoisotopic Mass:
491.47g/mol
Rotatable Bond Count:
27
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
13.7
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