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81095-01-4 | 5(4H)-Oxazolone, 2-ethenyl-4-methyl-4-nonyl-
CAS No: 81095-01-4 Catalog No: AG005GE5 MDL No:
Product Description
Catalog Number:
AG005GE5
Chemical Name:
5(4H)-Oxazolone, 2-ethenyl-4-methyl-4-nonyl-
CAS Number:
81095-01-4
Molecular Formula:
C15H25NO2
Molecular Weight:
251.3645
IUPAC Name:
2-ethenyl-4-methyl-4-nonyl-1,3-oxazol-5-one
InChI:
InChI=1S/C15H25NO2/c1-4-6-7-8-9-10-11-12-15(3)14(17)18-13(5-2)16-15/h5H,2,4,6-12H2,1,3H3
InChI Key:
SQZSACNFCGPRRH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC1(C)N=C(OC1=O)C=C
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.189g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.37g/mol
Monoisotopic Mass:
251.189g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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