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50635-24-0 | 2-(4-(tert-Butyl);phenoxy);acetonitrile
CAS No: 50635-24-0 Catalog No: AG003BXC MDL No:MFCD00052454
Product Description
Catalog Number:
AG003BXC
Chemical Name:
2-(4-(tert-Butyl);phenoxy);acetonitrile
CAS Number:
50635-24-0
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
MDL Number:
MFCD00052454
IUPAC Name:
2-(4-tert-butylphenoxy)acetonitrile
InChI:
InChI=1S/C12H15NO/c1-12(2,3)10-4-6-11(7-5-10)14-9-8-13/h4-7H,9H2,1-3H3
InChI Key:
HZVAATCQZHQGJT-UHFFFAOYSA-N
SMILES:
N#CCOc1ccc(cc1)C(C)(C)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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