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23195-86-0 | Propanedinitrile, 2-(2-oxo-1,2-diphenylethylidene)-
CAS No: 23195-86-0 Catalog No: AG002MHL MDL No:
Product Description
Catalog Number:
AG002MHL
Chemical Name:
Propanedinitrile, 2-(2-oxo-1,2-diphenylethylidene)-
CAS Number:
23195-86-0
Molecular Formula:
C17H10N2O
Molecular Weight:
258.2741
IUPAC Name:
2-[2-(6-oxocyclohexa-2,4-dien-1-yl)-2-phenylethylidene]propanedinitrile
InChI:
InChI=1S/C17H12N2O/c18-11-13(12-19)10-16(14-6-2-1-3-7-14)15-8-4-5-9-17(15)20/h1-10,15-16H
InChI Key:
FJJUZRMKJBVCJX-UHFFFAOYSA-N
SMILES:
N#CC(=C(C(=O)c1ccccc1)c1ccccc1)C#N
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.296g/mol
Monoisotopic Mass:
260.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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