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897036-78-1 | Benzonitrile, 2-(2-hydroxy-4-methylphenoxy)-
CAS No: 897036-78-1 Catalog No: AG0042LU MDL No:
Product Description
Catalog Number:
AG0042LU
Chemical Name:
Benzonitrile, 2-(2-hydroxy-4-methylphenoxy)-
CAS Number:
897036-78-1
Molecular Formula:
C14H11NO2
Molecular Weight:
225.2426
IUPAC Name:
2-(2-hydroxy-4-methylphenoxy)benzonitrile
InChI:
InChI=1S/C14H11NO2/c1-10-6-7-14(12(16)8-10)17-13-5-3-2-4-11(13)9-15/h2-8,16H,1H3
InChI Key:
SOIUSZFLRKBKSP-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1Oc1ccc(cc1O)C
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.247g/mol
Monoisotopic Mass:
225.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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