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89225-61-6 | Benzonitrile, 2-[2-hydroxy-3-[(2-hydroxyethyl)amino]propoxy]-
CAS No: 89225-61-6 Catalog No: AG0043GL MDL No:
Product Description
Catalog Number:
AG0043GL
Chemical Name:
Benzonitrile, 2-[2-hydroxy-3-[(2-hydroxyethyl)amino]propoxy]-
CAS Number:
89225-61-6
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
IUPAC Name:
2-[2-hydroxy-3-(2-hydroxyethylamino)propoxy]benzonitrile
InChI:
InChI=1S/C12H16N2O3/c13-7-10-3-1-2-4-12(10)17-9-11(16)8-14-5-6-15/h1-4,11,14-16H,5-6,8-9H2
InChI Key:
VSTIGQVTJTZOGY-UHFFFAOYSA-N
SMILES:
OCCNCC(COc1ccccc1C#N)O
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
236.271g/mol
Monoisotopic Mass:
236.116g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
85.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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