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3042-59-9 | Naphthalene, 2-(1-ethylbutyl)-
CAS No: 3042-59-9 Catalog No: AG00302U MDL No:
Product Description
Catalog Number:
AG00302U
Chemical Name:
Naphthalene, 2-(1-ethylbutyl)-
CAS Number:
3042-59-9
Molecular Formula:
C16H20
Molecular Weight:
212.3300
IUPAC Name:
2-hexan-3-ylnaphthalene
InChI:
InChI=1S/C16H20/c1-3-7-13(4-2)16-11-10-14-8-5-6-9-15(14)12-16/h5-6,8-13H,3-4,7H2,1-2H3
InChI Key:
JLUCMGUXHYNIHG-UHFFFAOYSA-N
SMILES:
CCCC(c1ccc2c(c1)cccc2)CC
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.157g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.336g/mol
Monoisotopic Mass:
212.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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