1-Pyrenecarboxaldehyde

• CAS: 3029-19-4
• Catalog Number: ACM3029194
• Category: Organic & Printed Electronics
• Molecular Weight: 230.26
• Molecular Formula: C17H10O
• Synonyms: 1-Pyrenealdehyde
• IUPAC Name: pyrene-1-carbaldehyde
• Canonical SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C=O
• InChI: InChI=1S/C17H10O/c18-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-10H
• InChI Key: RCYFOPUXRMOLQM-UHFFFAOYSA-N
• Complexity: 337
• Covalently-Bonded Unit Count: 1
• EC Number: 221-196-6
• Exact Mass: 230.073165g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 18
• LogP: 4.23 (LogP)
• Monoisotopic Mass: 230.073165g/mol
• NSC Number: 30811
• Rotatable Bond Count: 1
• UNII: I9H95PVI1P
• XLogP3: 4.5

Custom Q&A

What is the molecular formula of 1-Pyrenecarboxaldehyde?

The molecular formula of 1-Pyrenecarboxaldehyde is C17H10O.

What is the molecular weight of 1-Pyrenecarboxaldehyde?

The molecular weight of 1-Pyrenecarboxaldehyde is 230.26 g/mol.

What is the IUPAC name of 1-Pyrenecarboxaldehyde?

The IUPAC name of 1-Pyrenecarboxaldehyde is pyrene-1-carbaldehyde.

What is the InChI of 1-Pyrenecarboxaldehyde?

The InChI of 1-Pyrenecarboxaldehyde is "InChI=1S/C17H10O/c18-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-10H".

What is the InChIKey of 1-Pyrenecarboxaldehyde?

The InChIKey of 1-Pyrenecarboxaldehyde is "RCYFOPUXRMOLQM-UHFFFAOYSA-N".

What is the canonical SMILES of 1-Pyrenecarboxaldehyde?

The canonical SMILES of 1-Pyrenecarboxaldehyde is "C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C=O".

What is the CAS number of 1-Pyrenecarboxaldehyde?

The CAS number of 1-Pyrenecarboxaldehyde is 3029-19-4.

What is the European Community (EC) number of 1-Pyrenecarboxaldehyde?

The European Community (EC) number of 1-Pyrenecarboxaldehyde is 221-196-6.

What is the UNII of 1-Pyrenecarboxaldehyde?

The UNII of 1-Pyrenecarboxaldehyde is I9H95PVI1P.

Is 1-Pyrenecarboxaldehyde a canonicalized compound?

Yes, 1-Pyrenecarboxaldehyde is a canonicalized compound.