2,4-Dihydroxyestrone
[CAS# 42979-86-2]

Identification

• Name: 2,4-Dihydroxyestrone
• Synonyms: 2,4-Dihydroxyestrone; Estra-1,3,5(10)-Trien-17-One, 2,3,4-Trihydroxy-
• Molecular Formula: C₁₈H₂₂O₄
• Molecular Weight: 302.37
• CAS Registry Number: 42979-86-2
• SMILES: [C@H]23[C@H]1[C@@](C(=O)CC1)(CC[C@@H]2C4=C(CC3)C(=C(O)C(=C4)O)O)C
• InChI: 1S/C18H22O4/c1-18-7-6-9-10(13(18)4-5-15(18)20)2-3-11-12(9)8-14(19)17(22)16(11)21/h8-10,13,19,21-22H,2-7H2,1H3/t9-,10+,13-,18-/m0/s1
• InChIKey: JHMKRVZOGMNBGV-HIONPOMWSA-N

Properties

• Density: 1.32g/cm³ (Cal.)
• Boiling point: 510.502°C at 760 mmHg (Cal.)
• Flash point: 276.63°C (Cal.)