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Home > Nitro Compounds > 834897-99-3
834897-99-3 | 2,6,12-Tetradecatriene, 2,6,10-trimethyl-13-nitro-, (6E)-
CAS No: 834897-99-3 Catalog No: AG0050N8 MDL No:
Product Description
Catalog Number:
AG0050N8
Chemical Name:
2,6,12-Tetradecatriene, 2,6,10-trimethyl-13-nitro-, (6E)-
CAS Number:
834897-99-3
Molecular Formula:
C17H29NO2
Molecular Weight:
279.4177
IUPAC Name:
2,6,10-trimethyl-13-nitrotetradeca-2,6,12-triene
InChI:
InChI=1S/C17H29NO2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-17(5)18(19)20/h8,10,13,16H,6-7,9,11-12H2,1-5H3
InChI Key:
YAVVCUPYAVQOJN-UHFFFAOYSA-N
SMILES:
CC(CC=C([N+](=O)[O-])C)CC/C=C(/CCC=C(C)C)\C
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.22g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.424g/mol
Monoisotopic Mass:
279.22g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
6.3
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