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116530-52-0 | 1-Heptanone, 1-(2-naphthalenyl)-
CAS No: 116530-52-0 Catalog No: AG000CP9 MDL No:
Product Description
Catalog Number:
AG000CP9
Chemical Name:
1-Heptanone, 1-(2-naphthalenyl)-
CAS Number:
116530-52-0
Molecular Formula:
C17H20O
Molecular Weight:
240.3401
IUPAC Name:
1-naphthalen-2-ylheptan-1-one
InChI:
InChI=1S/C17H20O/c1-2-3-4-5-10-17(18)16-12-11-14-8-6-7-9-15(14)13-16/h6-9,11-13H,2-5,10H2,1H3
InChI Key:
BALLISZXOQIEDJ-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)c1ccc2c(c1)cccc2
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.151g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.346g/mol
Monoisotopic Mass:
240.151g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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