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72246-84-5 | Naphthalene,1-methyl-7-(1-methylpropyl)-
CAS No: 72246-84-5 Catalog No: AG005J3F MDL No:
Product Description
Catalog Number:
AG005J3F
Chemical Name:
Naphthalene,1-methyl-7-(1-methylpropyl)-
CAS Number:
72246-84-5
Molecular Formula:
C15H18
Molecular Weight:
198.3034
IUPAC Name:
7-butan-2-yl-1-methylnaphthalene
InChI:
InChI=1S/C15H18/c1-4-11(2)14-9-8-13-7-5-6-12(3)15(13)10-14/h5-11H,4H2,1-3H3
InChI Key:
KMBFAEWMORJFOV-UHFFFAOYSA-N
SMILES:
CCC(c1ccc2c(c1)c(C)ccc2)C
EC Number:
276-534-5
Properties
Complexity:
196
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:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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