6-Dehydroestrone

• Catalog Number: ACM2208120
• Product Name: 6-Dehydroestrone
• CAS: 2208-12-0
• Category: Steroidal Compounds
• Synonyms: (8R,9S,13S,14S)-3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-one
• IUPAC Name: (8R,9S,13S,14S)-3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-one
• Molecular Weight: 268.35
• Molecular Formula: C18H20O2
• Canonical SMILES: C[C@H]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C=CC4=C3C=CC(=C4)O
• InChI Key: WTRRIQCGCGCMQA-CBZIJGRNSA-N
• Boiling Point: 454.7ºC at 760mmHg
• Flash Point: 193.6ºC
• Density: 1.19g/cm³
• Appearance: white powder
• Exact Mass: 268.14600
• Hazard Statements: Xn: Harmful
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Safety Description: 22-36

Custom Q&A

What is the molecular formula of 6-Dehydroestrone?

The molecular formula of 6-Dehydroestrone is C18H20O2.

What is the molecular weight of 6-Dehydroestrone?

The molecular weight of 6-Dehydroestrone is 268.3 g/mol.

What is the IUPAC name of 6-Dehydroestrone?

The IUPAC name of 6-Dehydroestrone is (8R,9S,13S,14S)-3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-one.

What is the Canonical SMILES of 6-Dehydroestrone?

The Canonical SMILES of 6-Dehydroestrone is CC12CCC3C(C1CCC2=O)C=CC4=C3C=CC(=C4)O.

What is the CAS number of 6-Dehydroestrone?

The CAS number of 6-Dehydroestrone is 2208-12-0.

What is the European Community (EC) number of 6-Dehydroestrone?

The European Community (EC) number of 6-Dehydroestrone is 636-647-6.

What is the KEGG ID of 6-Dehydroestrone?

The KEGG ID of 6-Dehydroestrone is C14650.

What is the hydrogen bond donor count of 6-Dehydroestrone?

The hydrogen bond donor count of 6-Dehydroestrone is 1.

What is the hydrogen bond acceptor count of 6-Dehydroestrone?

The hydrogen bond acceptor count of 6-Dehydroestrone is 2.

What is the topological polar surface area of 6-Dehydroestrone?

The topological polar surface area of 6-Dehydroestrone is 37.3Ų.