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14611-44-0 | Benzeneacetonitrile, 2,3,5,6-tetramethyl-
CAS No: 14611-44-0 Catalog No: AG001DPD MDL No:MFCD00060297
Product Description
Catalog Number:
AG001DPD
Chemical Name:
Benzeneacetonitrile, 2,3,5,6-tetramethyl-
CAS Number:
14611-44-0
Molecular Formula:
C12H15N
Molecular Weight:
173.2542
MDL Number:
MFCD00060297
IUPAC Name:
2-(2,3,5,6-tetramethylphenyl)acetonitrile
InChI:
InChI=1S/C12H15N/c1-8-7-9(2)11(4)12(5-6-13)10(8)3/h7H,5H2,1-4H3
InChI Key:
RGNMZRMZCWNPPU-UHFFFAOYSA-N
SMILES:
N#CCc1c(C)c(C)cc(c1C)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.259g/mol
Monoisotopic Mass:
173.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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