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7357-50-8 | Propanenitrile,3,3'-[[1-(phenoxymethyl)-1,2-ethanediyl]bis(oxy)]bis- (9CI)
CAS No: 7357-50-8 Catalog No: AG005COG MDL No:
Product Description
Catalog Number:
AG005COG
Chemical Name:
Propanenitrile,3,3'-[[1-(phenoxymethyl)-1,2-ethanediyl]bis(oxy)]bis- (9CI)
CAS Number:
7357-50-8
Molecular Formula:
C15H18N2O3
Molecular Weight:
274.3150
IUPAC Name:
3-[2-(2-cyanoethoxy)-3-phenoxypropoxy]propanenitrile
InChI:
InChI=1S/C15H18N2O3/c16-8-4-10-18-12-15(19-11-5-9-17)13-20-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,10-13H2
InChI Key:
GRFIAICZPZTDMN-UHFFFAOYSA-N
SMILES:
N#CCCOC(COc1ccccc1)COCCC#N
NSC Number:
23037
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.132g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.32g/mol
Monoisotopic Mass:
274.132g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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