Structure

Benzestrol

CAS
85-95-0
Catalog Number
ACM85950
Category
Other Products
Molecular Weight
298.42
Molecular Formula
C20H26O2

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Specification

Synonyms
4,4'-(1,2-Diethyl-3-methyl-1,3-propanediyl)bisphenol; 3-Ethyl-2,4-bis(p-hydroxyphenyl)hexane; Chemestrogen; NSC 408889; Octestrol; Octoestrol; Octofollin; Oktestrol;
IUPAC Name
4-[3-ethyl-4-(4-hydroxyphenyl)hexan-2-yl]phenol
Canonical SMILES
CCC(C1=CC=C(C=C1)O)C(CC)C(C)C2=CC=C(C=C2)O
InChI Key
DUTFBSAKKUNBAL-UHFFFAOYSA-N
Boiling Point
431.4ºC at 760 mmHg
Flash Point
192.8ºC
Density
1.063g/cm³
Exact Mass
298.19300
H-Bond Acceptor
2
H-Bond Donor
2
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