1,8-Diphosphonooctane,1,8-octanediylbis-phosphonicacid,c8bpa

• CAS: 5943-66-8
• Catalog Number: ACM5943668
• Category: Biomaterials
• Molecular Weight: 274.19g/mol
• Molecular Formula: C8H20O6P2
• Synonyms: 1,8-Diphosphonooctane,1,8-octanediylbis-phosphonicacid,C8BPA;1,8-Octanediphosphonicacid;1,8-Octanediphosphonic acid,1,8-Diphosphonooctane, 1,8-octanediylbis-phosphonic acid, C8BPA;1,8-Diphosphonooctane;1,8-octanediylbis-phosphonic acid;C8BPA;1,8-Octanedip
• IUPAC Name: 8-phosphonooctylphosphonic acid
• Canonical SMILES: C(CCCCP(=O)(O)O)CCCP(=O)(O)O
• InChI: InChI=1S/C8H20O6P2/c9-15(10,11)7-5-3-1-2-4-6-8-16(12,13)14/h1-8H2,(H2,9,10,11)(H2,12,13,14)
• InChI Key: VRAVNKVHQXXAQW-UHFFFAOYSA-N
• Complexity: 240
• Covalently-Bonded Unit Count: 1
• Exact Mass: 274.073512g/mol
• Formal Charge: 0
• H-Bond Acceptor: 6
• H-Bond Donor: 4
• Heavy Atom Count: 16
• Monoisotopic Mass: 274.073512g/mol
• Rotatable Bond Count: 9
• XLogP3: -0.9

Custom Q&A

What is the molecular formula of 1,8-Diphosphonooctane?

The molecular formula of 1,8-Diphosphonooctane is C8H20O6P2.

What is the synonym for 1,8-Diphosphonooctane?

The synonym for 1,8-Diphosphonooctane is 1,8-Octanediphosphonic acid.

What is the CAS number of 1,8-Diphosphonooctane?

The CAS number of 1,8-Diphosphonooctane is 5943-66-8.

What is the IUPAC name of 1,8-Diphosphonooctane?

The IUPAC name of 1,8-Diphosphonooctane is 8-phosphonooctylphosphonic acid.

What is the molecular weight of 1,8-Diphosphonooctane?

The molecular weight of 1,8-Diphosphonooctane is 274.19 g/mol.

What is the InChI of 1,8-Diphosphonooctane?

The InChI of 1,8-Diphosphonooctane is InChI=1S/C8H20O6P2/c9-15(10,11)7-5-3-1-2-4-6-8-16(12,13)14/h1-8H2,(H2,9,10,11)(H2,12,13,14).

What is the InChIkey of 1,8-Diphosphonooctane?

The InChIkey of 1,8-Diphosphonooctane is VRAVNKVHQXXAQW-UHFFFAOYSA-N.

What is the XLogP3-AA value of 1,8-Diphosphonooctane?

The XLogP3-AA value of 1,8-Diphosphonooctane is -0.9.

How many hydrogen bond donor counts does 1,8-Diphosphonooctane have?

1,8-Diphosphonooctane has 4 hydrogen bond donor counts.

How many rotatable bond counts does 1,8-Diphosphonooctane have?

1,8-Diphosphonooctane has 9 rotatable bond counts.