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E, E-Dienestrol

CAT: 0926-FD21756-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FD21756-01Size:10 mg
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CAS Number
13029-44-2
Synonyms
3,4-Bis (4-hydroxyphenyl) -2,4-hexadiene; a-Dienestrol;4,4'-[ (1E,2E) -1,2-Diethylidene-1,2-ethanediyl]bis-phenol
MDL Number
MFCD00050983
Smiles
C/C=C (/C (=C/C) /C1=CC=C (C=C1) O) \C2=CC=C (C=C2) O
Molecular Formula
C18H18O2
Molecular Weight
266.33 g/mol
Controlled
No

Chemical Information

Dienestrol

Dienestrol is an olefinic compound that is hexa-2,4-diene substituted by 4-hydroxyphenyl groups at positions 3 and 4 respectively. It has a role as a xenoestrogen. It is a member of phenols and an olefinic compound.

CAS Number13029-44-2
PubChem CID667476
IUPAC Name4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol
Molecular FormulaC18H18O2
Molecular Weight266.3
XLogP5.4
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity318
SMILES
C/C=C(/C(=C/C)/C1=CC=C(C=C1)O)\C2=CC=C(C=C2)O
InChI
InChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3/b17-3+,18-4+
InChIKey
NFDFQCUYFHCNBW-SCGPFSFSSA-N
Chemical Structure
2D Structure
2D structure of Dienestrol
CAS: 13029-44-2
CID: 667476
Formula: C18H18O2
MW: 266.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.3
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass266.130679813
Monoisotopic Mass266.130679813
Topological Polar Surface Area40.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity318
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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sc-211388E, E-Dienestrol
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