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288862-40-8 | 9-Octadecen-1-one, 1-(2-oxazolyl)-, (9Z)-
CAS No: 288862-40-8 Catalog No: AG002WY1 MDL No:
Product Description
Catalog Number:
AG002WY1
Chemical Name:
9-Octadecen-1-one, 1-(2-oxazolyl)-, (9Z)-
CAS Number:
288862-40-8
Molecular Formula:
C21H35NO2
Molecular Weight:
333.5081
IUPAC Name:
1-(1,3-oxazol-2-yl)octadec-9-en-1-one
InChI:
InChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-22-18-19-24-21/h9-10,18-19H,2-8,11-17H2,1H3
InChI Key:
WWYUNXGFLPTVRR-UHFFFAOYSA-N
SMILES:
CCCCCCCC/C=C\CCCCCCCC(=O)c1ncco1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.267g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.516g/mol
Monoisotopic Mass:
333.267g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.8
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