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85650-85-7 | SEC-BUTYLDIMETHYLNAPHTHALENE
CAS No: 85650-85-7 Catalog No: AG004THE MDL No:
Product Description
Catalog Number:
AG004THE
Chemical Name:
SEC-BUTYLDIMETHYLNAPHTHALENE
CAS Number:
85650-85-7
Molecular Formula:
C16H20
Molecular Weight:
212.3300
IUPAC Name:
3-butan-2-yl-1,2-dimethylnaphthalene
InChI:
InChI=1S/C16H20/c1-5-11(2)16-10-14-8-6-7-9-15(14)12(3)13(16)4/h6-11H,5H2,1-4H3
InChI Key:
JBZFLSWSDAMZOY-UHFFFAOYSA-N
SMILES:
CCC(c1cc2ccccc2c(c1C)C)C
EC Number:
288-095-7
Properties
Complexity:
220
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:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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