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2520-61-8 | 2,7-Nonadien-4-one, 2,8-dimethyl-
CAS No: 2520-61-8 Catalog No: AG002QVS MDL No:
Product Description
Catalog Number:
AG002QVS
Chemical Name:
2,7-Nonadien-4-one, 2,8-dimethyl-
CAS Number:
2520-61-8
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
IUPAC Name:
2,8-dimethylnona-2,7-dien-4-one
InChI:
InChI=1S/C11H18O/c1-9(2)6-5-7-11(12)8-10(3)4/h6,8H,5,7H2,1-4H3
InChI Key:
FNYPGSJKJMAJSG-UHFFFAOYSA-N
SMILES:
CC(=CCCC(=O)C=C(C)C)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.264g/mol
Monoisotopic Mass:
166.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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