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Diethylstilbestrol 5g

CAT: 0628-A10309-5000Size: 5000 mgDry Ice: NoHazardous: No
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CAT#:0628-A10309-5000Size:5000 mg
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CAS Number
56-53-1

Chemical Information

Diethylstilbestrol

Diethylstilbestrol (DES) can cause cancer according to California Labor Code. It can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number56-53-1
PubChem CID448537
IUPAC Name4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
Molecular FormulaC18H20O2
Molecular Weight268.3
XLogP5.1
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity286
SMILES
CC/C(=C(/CC)\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)O
InChI
InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
InChIKey
RGLYKWWBQGJZGM-ISLYRVAYSA-N
Chemical Structure
2D Structure
2D structure of Diethylstilbestrol
CAS: 56-53-1
CID: 448537
Formula: C18H20O2
MW: 268.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight268.3
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass268.146329876
Monoisotopic Mass268.146329876
Topological Polar Surface Area40.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity286
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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