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4,4'-Diselanediyldibenzaldehyde

CAT: 0127-OR1061529-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1061529-01Size:100 mg
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CAS Number
1235774-35-2
Purity
98%
Smiles
O=CC1=CC=C([Se][Se]C2=CC=C(C=C2)C=O)C=C1

Chemical Information

4,4'-Diselanediyldibenzaldehyde
CAS Number1235774-35-2
PubChem CID46901795
IUPAC Name4-[(4-formylphenyl)diselanyl]benzaldehyde
Molecular FormulaC14H10O2Se2
Molecular Weight368.2
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity239
SMILES
C1=CC(=CC=C1C=O)[Se][Se]C2=CC=C(C=C2)C=O
InChI
InChI=1S/C14H10O2Se2/c15-9-11-1-5-13(6-2-11)17-18-14-7-3-12(10-16)4-8-14/h1-10H
InChIKey
PDDBQXDKPVQJFN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4'-Diselanediyldibenzaldehyde
CAS: 1235774-35-2
CID: 46901795
Formula: C14H10O2Se2
MW: 368.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass369.90112
Monoisotopic Mass369.90112
Topological Polar Surface Area34.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity239
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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