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17354-79-9 | Propanenitrile, 3,3'-[(4-formylphenyl)imino]bis-
CAS No: 17354-79-9 Catalog No: AG001Z0A MDL No:
Product Description
Catalog Number:
AG001Z0A
Chemical Name:
Propanenitrile, 3,3'-[(4-formylphenyl)imino]bis-
CAS Number:
17354-79-9
Molecular Formula:
C13H13N3O
Molecular Weight:
227.2618
IUPAC Name:
3-[N-(2-cyanoethyl)-4-formylanilino]propanenitrile
InChI:
InChI=1S/C13H13N3O/c14-7-1-9-16(10-2-8-15)13-5-3-12(11-17)4-6-13/h3-6,11H,1-2,9-10H2
InChI Key:
VWILPRABHZNINB-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)N(CCC#N)CCC#N
EC Number:
241-382-0
NSC Number:
166419
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.267g/mol
Monoisotopic Mass:
227.106g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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