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Trans-4-Hydroxystilbene

CAT: 0926-FH67679-02Size: 0.05 kgDry Ice: NoHazardous: No
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CAT#:0926-FH67679-02Size:0.05 kg
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CAS Number
6554-98-9
Synonyms
Trans-4-Stilbenol
MDL Number
MFCD00002386
Smiles
C1=CC=C (C=C1) /C=C/C2=CC=C (C=C2) O
Molecular Formula
C14H12O
Molecular Weight
196.24 g/mol
Controlled
No

Chemical Information

4-Hydroxy-trans-stilbene

Stilben-4-ol is a phenol having the structure of stilbene with a hydroxy function at C-4 of one of the phenyl rings; the stereochemistry across the alkene bond is not specified. It derives from a hydride of a stilbene.

CAS Number6554-98-9
PubChem CID5284650
IUPAC Name4-[(E)-2-phenylethenyl]phenol
Molecular FormulaC14H12O
Molecular Weight196.24
XLogP4.1
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity195
SMILES
C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)O
InChI
InChI=1S/C14H12O/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11,15H/b7-6+
InChIKey
QVLMUEOXQBUPAH-VOTSOKGWSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy-trans-stilbene
CAS: 6554-98-9
CID: 5284650
Formula: C14H12O
MW: 196.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.24
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass196.088815002
Monoisotopic Mass196.088815002
Topological Polar Surface Area20.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity195
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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sc-363468Trans-4-Hydroxystilbene
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sc-272685Trans, trans-4- (trans-4-Propylcyclohexyl) -phenyl 4'-propylbicyclohexyl-4-carboxylate
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