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85650-86-8 | Naphthalene,dimethylbis(1-methylpropyl)- (9CI)
CAS No: 85650-86-8 Catalog No: AG004Q6S MDL No:
Product Description
Catalog Number:
AG004Q6S
Chemical Name:
Naphthalene,dimethylbis(1-methylpropyl)- (9CI)
CAS Number:
85650-86-8
Molecular Formula:
C20H28
Molecular Weight:
268.4363
IUPAC Name:
1,2-di(butan-2-yl)-3,4-dimethylnaphthalene
InChI:
InChI=1S/C20H28/c1-7-13(3)19-16(6)15(5)17-11-9-10-12-18(17)20(19)14(4)8-2/h9-14H,7-8H2,1-6H3
InChI Key:
XSAHKZLTMQUPIO-UHFFFAOYSA-N
SMILES:
CCC(c1c(C(CC)C)c(C)c(c2c1cccc2)C)C
EC Number:
288-096-2
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.219g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.444g/mol
Monoisotopic Mass:
268.219g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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