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116140-57-9 | 2,4-Pentanedione, 3-[1-(2-naphthalenyl)ethyl]-
CAS No: 116140-57-9 Catalog No: AG000BQ4 MDL No:
Product Description
Catalog Number:
AG000BQ4
Chemical Name:
2,4-Pentanedione, 3-[1-(2-naphthalenyl)ethyl]-
CAS Number:
116140-57-9
Molecular Formula:
C17H18O2
Molecular Weight:
254.3236
IUPAC Name:
3-(1-naphthalen-2-ylethyl)pentane-2,4-dione
InChI:
InChI=1S/C17H18O2/c1-11(17(12(2)18)13(3)19)15-9-8-14-6-4-5-7-16(14)10-15/h4-11,17H,1-3H3
InChI Key:
PEJHODVEEYVBRY-UHFFFAOYSA-N
SMILES:
CC(=O)C(C(c1ccc2c(c1)cccc2)C)C(=O)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.329g/mol
Monoisotopic Mass:
254.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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