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Trans-3-Hydroxystilbene

CAT: 0926-FH67497-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-FH67497-02Size:5 g
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CAS Number
76425-88-2
Synonyms
3[ (E) -2-Phenylvinyl]phenol
MDL Number
MFCD00016459
Smiles
C1=CC=C (C=C1) /C=C/C2=CC (=CC=C2) O
Molecular Formula
C14H12O
Molecular Weight
196.24 g/mol
Controlled
No

Chemical Information

3-[(E)-2-phenylvinyl]phenol
CAS Number76425-88-2
PubChem CID5375465
IUPAC Name3-[(E)-2-phenylethenyl]phenol
Molecular FormulaC14H12O
Molecular Weight196.24
XLogP3.9
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity203
SMILES
C1=CC=C(C=C1)/C=C/C2=CC(=CC=C2)O
InChI
InChI=1S/C14H12O/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-11,15H/b10-9+
InChIKey
XBHJTSIYYWRJFQ-MDZDMXLPSA-N
Chemical Structure
2D Structure
2D structure of 3-[(E)-2-phenylvinyl]phenol
CAS: 76425-88-2
CID: 5375465
Formula: C14H12O
MW: 196.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.24
XLogP33.9
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
Complexity203
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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