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87797-75-9 | 2,9-Pentadecadiene-12,14-diynamide, N-(2-methylpropyl)-, (2E,9Z)-
CAS No: 87797-75-9 Catalog No: AG004I7R MDL No:
Product Description
Catalog Number:
AG004I7R
Chemical Name:
2,9-Pentadecadiene-12,14-diynamide, N-(2-methylpropyl)-, (2E,9Z)-
CAS Number:
87797-75-9
Molecular Formula:
C19H27NO
Molecular Weight:
285.4238
IUPAC Name:
N-(2-methylpropyl)pentadeca-2,9-dien-12,14-diynamide
InChI:
InChI=1S/C19H27NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19(21)20-17-18(2)3/h1,8-9,15-16,18H,7,10-14,17H2,2-3H3,(H,20,21)
InChI Key:
ABSLRBKEGBEWJT-UHFFFAOYSA-N
SMILES:
C#CC#CC/C=C\CCCCC/C=C/C(=O)NCC(C)C
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.209g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.431g/mol
Monoisotopic Mass:
285.209g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5.1
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