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19990-00-2 | Naphthalene, 1-(1,1-diethylpropyl)-
CAS No: 19990-00-2 Catalog No: AG002CG6 MDL No:
Product Description
Catalog Number:
AG002CG6
Chemical Name:
Naphthalene, 1-(1,1-diethylpropyl)-
CAS Number:
19990-00-2
Molecular Formula:
C17H22
Molecular Weight:
226.3566
IUPAC Name:
1-(3-ethylpentan-3-yl)naphthalene
InChI:
InChI=1S/C17H22/c1-4-17(5-2,6-3)16-13-9-11-14-10-7-8-12-15(14)16/h7-13H,4-6H2,1-3H3
InChI Key:
RLRMZYJUFDPUJT-UHFFFAOYSA-N
SMILES:
CCC(c1cccc2c1cccc2)(CC)CC
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.172g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.363g/mol
Monoisotopic Mass:
226.172g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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