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86052-16-6 | Benzonitrile, 4-(1-ethoxyethoxy)-3-methoxy-
CAS No: 86052-16-6 Catalog No: AG004LPV MDL No:
Product Description
Catalog Number:
AG004LPV
Chemical Name:
Benzonitrile, 4-(1-ethoxyethoxy)-3-methoxy-
CAS Number:
86052-16-6
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
IUPAC Name:
4-(1-ethoxyethoxy)-3-methoxybenzonitrile
InChI:
InChI=1S/C12H15NO3/c1-4-15-9(2)16-11-6-5-10(8-13)7-12(11)14-3/h5-7,9H,4H2,1-3H3
InChI Key:
ZIPHEWKCROTVJP-UHFFFAOYSA-N
SMILES:
CCOC(Oc1ccc(cc1OC)C#N)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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