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84029-96-9 | Naphthalene,1-(1,1-dimethylethyl)-4-methyl-
CAS No: 84029-96-9 Catalog No: AG004QEX MDL No:
Product Description
Catalog Number:
AG004QEX
Chemical Name:
Naphthalene,1-(1,1-dimethylethyl)-4-methyl-
CAS Number:
84029-96-9
Molecular Formula:
C15H18
Molecular Weight:
198.3034
IUPAC Name:
1-tert-butyl-4-methylnaphthalene
InChI:
InChI=1S/C15H18/c1-11-9-10-14(15(2,3)4)13-8-6-5-7-12(11)13/h5-10H,1-4H3
InChI Key:
APXKKRBPTNNHGS-UHFFFAOYSA-N
SMILES:
Cc1ccc(c2c1cccc2)C(C)(C)C
EC Number:
281-767-0
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.141g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.309g/mol
Monoisotopic Mass:
198.141g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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