Estra-4,9-dien-17-ol-3-one

• Catalog Number: ACM6218297
• Product Name: Estra-4,9-dien-17-ol-3-one
• CAS: 6218-29-7
• Category: Steroidal Compounds
• Synonyms: HYDROXYESTRADIENONE; 17b-Hydroxy-estra-4,9-dien-3-one; 9,10-Dehydro-19-nortestosterone; 17beta-Hydroxyestra-4,9-dien-3-one
• IUPAC Name: 9(10)-Dehydronandrolone
• Molecular Weight: 258.36
• Molecular Formula: C₁₇H₂₂O₂
• Boiling Point: 466.823ºC at 760 mmHg
• Flash Point: 198.572ºC
• Density: 1.17g/cm³
• Exact Mass: 258.16200

Custom Q&A

What is the molecular formula of Estra-4,9-dien-17-ol-3-one?

The molecular formula is C17H22O2.

What is the molecular weight of Estra-4,9-dien-17-ol-3-one?

The molecular weight is 258.35 g/mol.

What is the IUPAC name of Estra-4,9-dien-17-ol-3-one?

The IUPAC name is (8S,14S,17S)-17-hydroxy-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.

What is the InChI of Estra-4,9-dien-17-ol-3-one?

The InChI is InChI=1S/C17H22O2/c18-11-2-4-12-10(9-11)1-3-14-13(12)5-6-16-15(14)7-8-17(16)19/h9,14-17,19H,1-8H2/t14-,15+,16?,17+/m1/s1.

What is the InChIKey of Estra-4,9-dien-17-ol-3-one?

The InChIKey is WJMRWIKIHXHRJA-GLDWBXLXSA-N.

What is the canonical SMILES of Estra-4,9-dien-17-ol-3-one?

The canonical SMILES is C1CC(C2C1C3CCC4=CC(=O)CCC4=C3CC2)O.

What is the isomeric SMILES of Estra-4,9-dien-17-ol-3-one?

The isomeric SMILES is C1C[C@@H](C2[C@@H]1[C@@H]3CCC4=CC(=O)CCC4=C3CC2)O.

What is the XLogP3-AA value of Estra-4,9-dien-17-ol-3-one?

The XLogP3-AA value is 1.4.

How many hydrogen bond donor counts does Estra-4,9-dien-17-ol-3-one have?

Estra-4,9-dien-17-ol-3-one has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does Estra-4,9-dien-17-ol-3-one have?

Estra-4,9-dien-17-ol-3-one has 2 hydrogen bond acceptor counts.