1-Pyrenebutyric acid

• Catalog Number: ACM3443456
• Product Name: 1-Pyrenebutyric acid
• CAS: 3443-45-6
• Category: Organic & Printed Electronics
• Synonyms: 1-PYRENEBUTYRIC ACID;1-PYRENEBUTANOIC ACID;4-(PYRENE-1-YL)-N-BUTYRIC ACID;4-(1-PYRENYL)BUTYRIC ACID;1-pyrenebutyrate;pyrene-1-butyric acid;1-PYRENEBUTYRIC ACID, FOR FLUORESCENCE;1-Pyrenebutyricacid,97%
• IUPAC Name: 4-pyren-1-ylbutanoic acid
• Molecular Weight: 288.3g/mol
• Molecular Formula: C20H16O2
• Canonical SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCC(=O)O
• InChI: InChI=1S/C20H16O2/c21-18(22)6-2-3-13-7-8-16-10-9-14-4-1-5-15-11-12-17(13)20(16)19(14)15/h1,4-5,7-12H,2-3,6H2,(H,21,22)
• InChI Key: QXYRRCOJHNZVDJ-UHFFFAOYSA-N
• Complexity: 418
• Covalently-Bonded Unit Count: 1
• EC Number: 222-354-7
• Exact Mass: 288.11503g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 22
• Monoisotopic Mass: 288.11503g/mol
• NSC Number: 30833
• Rotatable Bond Count: 4
• UNII: CT0DC64E8Q
• XLogP3: 5.1

Custom Q&A

What is the molecular formula of 1-Pyrenebutyric acid?

The molecular formula of 1-Pyrenebutyric acid is C20H16O2.

What is the molecular weight of 1-Pyrenebutyric acid?

The molecular weight of 1-Pyrenebutyric acid is 288.3 g/mol.

What is the IUPAC name of 1-Pyrenebutyric acid?

The IUPAC name of 1-Pyrenebutyric acid is 4-pyren-1-ylbutanoic acid.

What is the InChI of 1-Pyrenebutyric acid?

The InChI of 1-Pyrenebutyric acid is InChI=1S/C20H16O2/c21-18(22)6-2-3-13-7-8-16-10-9-14-4-1-5-15-11-12-17(13)20(16)19(14)15/h1,4-5,7-12H,2-3,6H2,(H,21,22).

What is the InChIKey of 1-Pyrenebutyric acid?

The InChIKey of 1-Pyrenebutyric acid is QXYRRCOJHNZVDJ-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Pyrenebutyric acid?

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

What is the CAS number of 1-Pyrenebutyric acid?

The CAS number of 1-Pyrenebutyric acid is 3443-45-6.

What is the XLogP3-AA value of 1-Pyrenebutyric acid?

The XLogP3-AA value of 1-Pyrenebutyric acid is 5.1.

How many hydrogen bond donor counts does 1-Pyrenebutyric acid have?

1-Pyrenebutyric acid has 1 hydrogen bond donor count.

How many rotatable bond counts does 1-Pyrenebutyric acid have?

1-Pyrenebutyric acid has 4 rotatable bond counts.