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(Z,Z)-Dienestrol
[CAS# 35495-11-5]

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Identification
Name (Z,Z)-Dienestrol
Synonyms 4-[(Z,1Z)-1-Ethylidene-2-(4-Hydroxyphenyl)But-2-Enyl]Phenol; (Z,Z)-Dienestrol; Ccris 7090
Molecular Structure CAS#: 35495-11-5, (Z,Z)-Dienestrol
Molecular Formula C18H18O2
Molecular Weight 266.34
CAS Registry Number 35495-11-5
SMILES C2=C(C(/C(C1=CC=C(O)C=C1)=C\C)=C/C)C=CC(=C2)O
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-XBMAZEBWSA-N
Properties
Density 1.129g/cm3 (Cal.)
Boiling point 395.439°C at 760 mmHg (Cal.)
Flash point 181.354°C (Cal.)
References
(1) Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493
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