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4-Formyl-Trans-Stilbene

CAT: 0127-OR1011544-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1011544-01Size:100 mg
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CAS Number
40200-69-9
MDL Number
MFCD00011580
Purity
98%
Smiles
O=C/C=C(C1=CC=CC=C1)\C2=CC=CC=C2

Chemical Information

4-Formyl-trans-stilbene
CAS Number40200-69-9
PubChem CID5375876
IUPAC Name4-[(E)-2-phenylethenyl]benzaldehyde
Molecular FormulaC15H12O
Molecular Weight208.25
XLogP3.9
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity230
SMILES
C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)C=O
InChI
InChI=1S/C15H12O/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-12H/b7-6+
InChIKey
CLXSBHRRZNBTRT-VOTSOKGWSA-N
Chemical Structure
2D Structure
2D structure of 4-Formyl-trans-stilbene
CAS: 40200-69-9
CID: 5375876
Formula: C15H12O
MW: 208.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.25
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass208.088815002
Monoisotopic Mass208.088815002
Topological Polar Surface Area17.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity230
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
S-8000-01Trans-Stilbene
sc-4853814- (Diethoxymethyl) -trans-stilbene
sc-262058A4-Methoxy-trans-stilbene
sc-4865344,4'-Diiodo-trans-stilbene
abx186292-014,4'-Dibromo-Trans-Stilbene
sc-4865334,4'-Dichloro-trans-stilbene
sc-4865354,4'-Dimethoxy-trans-stilbene
sc-4851404,4'-Dimethyl-trans-stilbene
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