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139417-55-3 | Naphthalene, 1,2,3-tris(1,1-dimethylethyl)-8-methyl-
CAS No: 139417-55-3 Catalog No: AG001B05 MDL No:
Product Description
Catalog Number:
AG001B05
Chemical Name:
Naphthalene, 1,2,3-tris(1,1-dimethylethyl)-8-methyl-
CAS Number:
139417-55-3
Molecular Formula:
C23H34
Molecular Weight:
310.5161
IUPAC Name:
1,2,3-tritert-butyl-8-methylnaphthalene
InChI:
InChI=1S/C23H34/c1-15-12-11-13-16-14-17(21(2,3)4)19(22(5,6)7)20(18(15)16)23(8,9)10/h11-14H,1-10H3
InChI Key:
TUJLTHQYRWQNRH-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1c(c(c(c2)C(C)(C)C)C(C)(C)C)C(C)(C)C
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.266g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.525g/mol
Monoisotopic Mass:
310.266g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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