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138827-88-0 | 1-Propene-1,1,2-tricarbonitrile, 3-(2-phenyl-4H-pyran-4-ylidene)-
CAS No: 138827-88-0 Catalog No: AG0019MV MDL No:
Product Description
Catalog Number:
AG0019MV
Chemical Name:
1-Propene-1,1,2-tricarbonitrile, 3-(2-phenyl-4H-pyran-4-ylidene)-
CAS Number:
138827-88-0
Molecular Formula:
C17H9N3O
Molecular Weight:
271.2729
IUPAC Name:
3-(2-phenylpyran-4-ylidene)prop-1-ene-1,1,2-tricarbonitrile
InChI:
InChI=1S/C17H9N3O/c18-10-15(16(11-19)12-20)8-13-6-7-21-17(9-13)14-4-2-1-3-5-14/h1-9H
InChI Key:
FNBQMYVEOGAREF-UHFFFAOYSA-N
SMILES:
N#CC(=C(C#N)C#N)C=C1C=COC(=C1)c1ccccc1
Properties
Complexity:
670
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.075g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.279g/mol
Monoisotopic Mass:
271.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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