15149-73-2 Purity
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Specification
The molecular formula of Acolbifene is C29H31NO4.
The molecular weight of Acolbifene is 457.6 g/mol.
The IUPAC Name of Acolbifene is (2S)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-ol.
The InChIKey of Acolbifene is DUYNJNWVGIWJRI-LJAQVGFWSA-N.
The Canonical SMILES of Acolbifene is CC1=C(C(OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)OCCN4CCCCC4)C5=CC=C(C=C5)O.
The CAS number of Acolbifene is 182167-02-8.
Acolbifene has 2 hydrogen bond donor counts.
The XLogP3-AA value of Acolbifene is 5.2.
Acolbifene has 6 rotatable bond counts.
The topological polar surface area of Acolbifene is 62.2 Å2.