Sativan

• CAS: 41743-86-6
• Catalog Number: ACM41743866
• Category: Other Products
• Molecular Weight: 286.32
• Molecular Formula: C17H18O4
• Synonyms: 2H-1-Benzopyran-7-ol, 3-(2,4-dimethoxyphenyl)-3,4-dihydro-, (3R)-
• IUPAC Name: (3R)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
• Canonical SMILES: COC1=CC(=C(C=C1)[C@H]2CC3=C(C=C(C=C3)O)OC2)OC
• InChI: InChI=1S/C17H18O4/c1-19-14-5-6-15(17(9-14)20-2)12-7-11-3-4-13(18)8-16(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3/t12-/m0/s1
• InChI Key: TUXCLJQCYVCGDW-LBPRGKRZSA-N
• Boiling Point: 443.6±45.0 °C
• Melting Point: 125-127 °C
• Density: 1.203±0.06 g/ml
• Appearance: Solid
• pKa: 9.91±0.40

Custom Q&A

What is the molecular formula of Sativan?

The molecular formula of Sativan is C17H18O4.

What is the molecular weight of Sativan?

The molecular weight of Sativan is 286.32 g/mol.

What is the IUPAC name of Sativan?

The IUPAC name of Sativan is 3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol.

What is the InChI of Sativan?

The InChI of Sativan is InChI=1S/C17H18O4/c1-19-14-5-6-15(17(9-14)20-2)12-7-11-3-4-13(18)8-16(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3.

What is the InChIKey of Sativan?

The InChIKey of Sativan is TUXCLJQCYVCGDW-UHFFFAOYSA-N.

What is the canonical SMILES of Sativan?

The canonical SMILES of Sativan is COC1=CC(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)OC.

What is the CAS number of Sativan?

The CAS number of Sativan is 41743-86-6.

What is the XLogP3-AA value of Sativan?

The XLogP3-AA value of Sativan is 3.3.

How many hydrogen bond donor counts does Sativan have?

Sativan has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does Sativan have?

Sativan has 4 hydrogen bond acceptor counts.