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87969-67-3 | 1-Decanone, 1-(1,2-dihydro-3-acenaphthylenyl)-
CAS No: 87969-67-3 Catalog No: AG004E84 MDL No:
Product Description
Catalog Number:
AG004E84
Chemical Name:
1-Decanone, 1-(1,2-dihydro-3-acenaphthylenyl)-
CAS Number:
87969-67-3
Molecular Formula:
C22H28O
Molecular Weight:
308.4571
IUPAC Name:
1-(1,2-dihydroacenaphthylen-3-yl)decan-1-one
InChI:
InChI=1S/C22H28O/c1-2-3-4-5-6-7-8-12-21(23)19-15-13-17-10-9-11-18-14-16-20(19)22(17)18/h9-11,13,15H,2-8,12,14,16H2,1H3
InChI Key:
DCIYAQVIGYQMOG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(=O)c1ccc2c3c1CCc3ccc2
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.214g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.465g/mol
Monoisotopic Mass:
308.214g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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