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Formaldehyde, DAIH derivative

CAT: 0024-sc-300741Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-300741Size:50 mg
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CAS Number
1119449-21-6

Chemical Information

(3Z)-2-(Diphenylacetyl)-3-(methylidenehydrazinylidene)-2,3-dihydro-1H-inden-1-one
CAS Number1119449-21-6
PubChem CID71312363
IUPAC Name(3Z)-2-(2,2-diphenylacetyl)-3-(methylidenehydrazinylidene)inden-1-one
Molecular FormulaC24H18N2O2
Molecular Weight366.4
XLogP5.5
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity611
SMILES
C=N/N=C\1/C(C(=O)C2=CC=CC=C21)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H18N2O2/c1-25-26-22-18-14-8-9-15-19(18)23(27)21(22)24(28)20(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15,20-21H,1H2/b26-22+
InChIKey
WGCHXJADQZBUFT-XTCLZLMSSA-N
Chemical Structure
2D Structure
2D structure of (3Z)-2-(Diphenylacetyl)-3-(methylidenehydrazinylidene)-2,3-dihydro-1H-inden-1-one
CAS: 1119449-21-6
CID: 71312363
Formula: C24H18N2O2
MW: 366.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.4
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass366.136827821
Monoisotopic Mass366.136827821
Topological Polar Surface Area58.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity611
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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