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649721-05-1 | Isoxazole, 5-(8-heptadecenyl)-3-methyl-
CAS No: 649721-05-1 Catalog No: AG00H7JF MDL No:
Product Description
Catalog Number:
AG00H7JF
Chemical Name:
Isoxazole, 5-(8-heptadecenyl)-3-methyl-
CAS Number:
649721-05-1
Molecular Formula:
C21H37NO
Molecular Weight:
319.5246
IUPAC Name:
5-heptadec-8-enyl-3-methyl-1,2-oxazole
InChI:
InChI=1S/C21H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20(2)22-23-21/h10-11,19H,3-9,12-18H2,1-2H3
InChI Key:
JSUQLQVHTFFJKU-UHFFFAOYSA-N
SMILES:
CCCCCCCCC=CCCCCCCCc1onc(c1)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.288g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.533g/mol
Monoisotopic Mass:
319.288g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
8.6
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