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87698-97-3 | Propanedinitrile, [[2-(4-morpholinyl)phenyl]methylene]-
CAS No: 87698-97-3 Catalog No: AG004GLA MDL No:MFCD00662569
Product Description
Catalog Number:
AG004GLA
Chemical Name:
Propanedinitrile, [[2-(4-morpholinyl)phenyl]methylene]-
CAS Number:
87698-97-3
Molecular Formula:
C14H13N3O
Molecular Weight:
239.2725
MDL Number:
MFCD00662569
IUPAC Name:
2-[(2-morpholin-4-ylphenyl)methylidene]propanedinitrile
InChI:
InChI=1S/C14H13N3O/c15-10-12(11-16)9-13-3-1-2-4-14(13)17-5-7-18-8-6-17/h1-4,9H,5-8H2
InChI Key:
OVTRWZIBNWDCJH-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccccc1N1CCOCC1)C#N
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.278g/mol
Monoisotopic Mass:
239.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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