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116509-62-7 | 2,5,7-Nonatrien-4-one, 2,6,8-trimethyl-
CAS No: 116509-62-7 Catalog No: AG000COB MDL No:
Product Description
Catalog Number:
AG000COB
Chemical Name:
2,5,7-Nonatrien-4-one, 2,6,8-trimethyl-
CAS Number:
116509-62-7
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
IUPAC Name:
2,6,8-trimethylnona-2,5,7-trien-4-one
InChI:
InChI=1S/C12H18O/c1-9(2)6-11(5)8-12(13)7-10(3)4/h6-8H,1-5H3
InChI Key:
KIYZNCHYCSOOBJ-UHFFFAOYSA-N
SMILES:
CC(=CC(=CC(=O)C=C(C)C)C)C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.275g/mol
Monoisotopic Mass:
178.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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