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28652-77-9 | Naphthalene, trimethyl-
CAS No: 28652-77-9 Catalog No: AG002VZS MDL No:
Product Description
Catalog Number:
AG002VZS
Chemical Name:
Naphthalene, trimethyl-
CAS Number:
28652-77-9
Molecular Formula:
C13H14
Molecular Weight:
170.2503
IUPAC Name:
1,3,8-trimethylnaphthalene
InChI:
InChI=1S/C13H14/c1-9-7-11(3)13-10(2)5-4-6-12(13)8-9/h4-8H,1-3H3
InChI Key:
XYTKCJHHXQVFCK-UHFFFAOYSA-N
SMILES:
Cc1c(C)cc2c(c1C)cccc2
EC Number:
241-121-0
UNII:
X3MOE579W5
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.255g/mol
Monoisotopic Mass:
170.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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