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102353-99-1 | Propanedinitrile, 2-[1-(2-oxo-2H-1-benzopyran-3-yl)ethylidene]-
CAS No: 102353-99-1 Catalog No: AG000785 MDL No:
Product Description
Catalog Number:
AG000785
Chemical Name:
Propanedinitrile, 2-[1-(2-oxo-2H-1-benzopyran-3-yl)ethylidene]-
CAS Number:
102353-99-1
Molecular Formula:
C14H8N2O2
Molecular Weight:
236.2255
IUPAC Name:
2-[1-(2-oxochromen-3-yl)ethylidene]propanedinitrile
InChI:
InChI=1S/C14H8N2O2/c1-9(11(7-15)8-16)12-6-10-4-2-3-5-13(10)18-14(12)17/h2-6H,1H3
InChI Key:
KFBGSZIESUFNGS-UHFFFAOYSA-N
SMILES:
N#CC(=C(c1cc2ccccc2oc1=O)C)C#N
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.23g/mol
Monoisotopic Mass:
236.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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