Home Nitriles Propanedinitrile, [methoxy(4-phenoxyphenyl)methylene]-

Propanedinitrile, [methoxy(4-phenoxyphenyl)methylene]-

CAS No.:
330792-69-3
Catalog Number:
AG00I6DO
Molecular Formula:
C17H12N2O2
Molecular Weight:
276.2894
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Product Description
Catalog Number:
AG00I6DO
Chemical Name:
Propanedinitrile, [methoxy(4-phenoxyphenyl)methylene]-
CAS Number:
330792-69-3
Molecular Formula:
C17H12N2O2
Molecular Weight:
276.2894
MDL Number:
MFCD20140315
IUPAC Name:
2-[methoxy-(4-phenoxyphenyl)methylidene]propanedinitrile
InChI:
InChI=1S/C17H12N2O2/c1-20-17(14(11-18)12-19)13-7-9-16(10-8-13)21-15-5-3-2-4-6-15/h2-10H,1H3
InChI Key:
IRVRZQLHMPWLLY-UHFFFAOYSA-N
SMILES:
COC(=C(C#N)C#N)c1ccc(cc1)Oc1ccccc1
Properties
Complexity:
448  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.09g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.295g/mol
Monoisotopic Mass:
276.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties