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864684-69-5 | Benzonitrile,4-(2,2-dimethoxyethoxy)-
CAS No: 864684-69-5 Catalog No: AG004MZQ MDL No:
Product Description
Catalog Number:
AG004MZQ
Chemical Name:
Benzonitrile,4-(2,2-dimethoxyethoxy)-
CAS Number:
864684-69-5
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
IUPAC Name:
4-(2,2-dimethoxyethoxy)benzonitrile
InChI:
InChI=1S/C11H13NO3/c1-13-11(14-2)8-15-10-5-3-9(7-12)4-6-10/h3-6,11H,8H2,1-2H3
InChI Key:
QUUFTAUIUMLQHR-UHFFFAOYSA-N
SMILES:
COC(COc1ccc(cc1)C#N)OC
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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