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87797-74-8 | 2,7-Tridecadiene-10,12-diynamide, N-(2-methylpropyl)-, (E,Z)-
CAS No: 87797-74-8 Catalog No: AG004I7S MDL No:
Product Description
Catalog Number:
AG004I7S
Chemical Name:
2,7-Tridecadiene-10,12-diynamide, N-(2-methylpropyl)-, (E,Z)-
CAS Number:
87797-74-8
Molecular Formula:
C17H23NO
Molecular Weight:
257.3706
IUPAC Name:
N-(2-methylpropyl)trideca-2,7-dien-10,12-diynamide
InChI:
InChI=1S/C17H23NO/c1-4-5-6-7-8-9-10-11-12-13-14-17(19)18-15-16(2)3/h1,8-9,13-14,16H,7,10-12,15H2,2-3H3,(H,18,19)
InChI Key:
AUFSPNOHXVRCBY-UHFFFAOYSA-N
SMILES:
C#CC#CC/C=C\CCC/C=C/C(=O)NCC(C)C
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.178g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.377g/mol
Monoisotopic Mass:
257.178g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4
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