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1246213-26-2 | Benzeneacetonitrile, 5-(1,1-diMethylethyl)-2-(phenylMethoxy)-
CAS No: 1246213-26-2 Catalog No: AG000MGY MDL No:
Product Description
Catalog Number:
AG000MGY
Chemical Name:
Benzeneacetonitrile, 5-(1,1-diMethylethyl)-2-(phenylMethoxy)-
CAS Number:
1246213-26-2
Molecular Formula:
C19H21NO
Molecular Weight:
279.3761
IUPAC Name:
2-(5-tert-butyl-2-phenylmethoxyphenyl)acetonitrile
InChI:
InChI=1S/C19H21NO/c1-19(2,3)17-9-10-18(16(13-17)11-12-20)21-14-15-7-5-4-6-8-15/h4-10,13H,11,14H2,1-3H3
InChI Key:
YGOZGKHSIJHOJN-UHFFFAOYSA-N
SMILES:
N#CCc1cc(ccc1OCc1ccccc1)C(C)(C)C
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.162g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.383g/mol
Monoisotopic Mass:
279.162g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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