5-[(propan-2-yloxy)methyl]furan-2-carbaldehyde

• CAS: 85733-99-9
• Catalog Number: ACM85733999
• Category: Furans
• Molecular Weight: 168.19
• Molecular Formula: C9H12O3

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C9H12O3.

What is the molecular weight of the compound?

The molecular weight is 168.19 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 5-(propan-2-yloxymethyl)furan-2-carbaldehyde.

What is the InChI of the compound?

The InChI is InChI=1S/C9H12O3/c1-7(2)11-6-9-4-3-8(5-10)12-9/h3-5,7H,6H2,1-2H3.

What is the InChIKey of the compound?

The InChIKey is NTPOCVMAMVGUPZ-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CC(C)OCC1=CC=C(O1)C=O.

What is the XLogP3 value of the compound?

The XLogP3 value is 0.8.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 3 hydrogen bond acceptor counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 39.4 Ų.