(1-phosphonoinden-1-yl)phosphonic acid

C9H10O6P2 — CID 87931462

IUPAC(1-phosphonoinden-1-yl)phosphonic acid
SMILESO=P(O)(O)C1(P(=O)(O)O)C=Cc2ccccc21
InChIInChI=1S/C9H10O6P2/c10-16(11,12)9(17(13,14)15)6-5-7-3-1-2-4-8(7)9/h1-6H,(H2,10,11,12)(H2,13,14,15)
InChIKeyOMUGITOYRAUJQG-UHFFFAOYSA-N
MW276.12 g/mol
LogP1.22
Rot. Bonds2

About (1-phosphonoinden-1-yl)phosphonic acid

(1-phosphonoinden-1-yl)phosphonic acid (PubChem CID 87931462) has the molecular formula C9H10O6P2 and a molecular weight of 276.12 g/mol. Its IUPAC name is (1-phosphonoinden-1-yl)phosphonic acid.

Molecular Properties

Compound Name(1-phosphonoinden-1-yl)phosphonic acid
PubChem CID87931462
Molecular FormulaC9H10O6P2
Molecular Weight276.12 g/mol
Exact Mass276.00
IUPAC Name(1-phosphonoinden-1-yl)phosphonic acid
SMILESO=P(O)(O)C1(P(=O)(O)O)C=Cc2ccccc21
InChIInChI=1S/C9H10O6P2/c10-16(11,12)9(17(13,14)15)6-5-7-3-1-2-4-8(7)9/h1-6H,(H2,10,11,12)(H2,13,14,15)
InChIKeyOMUGITOYRAUJQG-UHFFFAOYSA-N
XLogP1.22
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-phosphonoinden-1-yl)phosphonic acid?
The IUPAC name of (1-phosphonoinden-1-yl)phosphonic acid (CID 87931462) is (1-phosphonoinden-1-yl)phosphonic acid.
What is the SMILES notation for (1-phosphonoinden-1-yl)phosphonic acid?
The canonical SMILES for (1-phosphonoinden-1-yl)phosphonic acid is O=P(O)(O)C1(P(=O)(O)O)C=Cc2ccccc21.
What is the InChIKey of (1-phosphonoinden-1-yl)phosphonic acid?
The InChIKey is OMUGITOYRAUJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O6P2/c10-16(11,12)9(17(13,14)15)6-5-7-3-1-2-4-8(7)9/h1-6H,(H2,10,11,12)(H2,13,14,15).
What are the key properties of (1-phosphonoinden-1-yl)phosphonic acid?
(1-phosphonoinden-1-yl)phosphonic acid has a molecular weight of 276.12 g/mol, XLogP of 1.22, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phosphonoinden-1-yl)phosphonic acid is sourced from PubChem (CID 87931462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).