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6575-13-9 | 2,6-Dimethylbenzonitrile
CAS No: 6575-13-9 Catalog No: AG00331W MDL No:MFCD00037166
Product Description
Catalog Number:
AG00331W
Chemical Name:
2,6-Dimethylbenzonitrile
CAS Number:
6575-13-9
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
MDL Number:
MFCD00037166
IUPAC Name:
2,6-dimethylbenzonitrile
InChI:
InChI=1S/C9H9N/c1-7-4-3-5-8(2)9(7)6-10/h3-5H,1-2H3
InChI Key:
QSACPWSIIRFHHR-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)cccc1C
EC Number:
229-503-5
UNII:
1ZH37S5B0Z
NSC Number:
98304
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.073g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.178g/mol
Monoisotopic Mass:
131.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Photochemical expulsion of the neutral monodentate ligand L in Ru(terpy*)(diimine)(L)2+: a dramatic effect of the steric properties of the spectator diimine ligand. | Inorganic chemistry 20041227 |
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