bicyclo[2.2.0]hexa-1,3,5-triene;phosphonous acid

C6H7O2P — CID 22734567

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;phosphonous acid
SMILESOPO.c1cc2ccc1-2
InChIInChI=1S/C6H4.H3O2P/c1-2-6-4-3-5(1)6;1-3-2/h1-4H;1-3H
InChIKeyASCITHQRLQIZOM-UHFFFAOYSA-N
MW142.09 g/mol
LogP1.15
Rot. Bonds

About bicyclo[2.2.0]hexa-1,3,5-triene;phosphonous acid

bicyclo[2.2.0]hexa-1,3,5-triene;phosphonous acid (PubChem CID 22734567) has the molecular formula C6H7O2P and a molecular weight of 142.09 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;phosphonous acid.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;phosphonous acid
PubChem CID22734567
Molecular FormulaC6H7O2P
Molecular Weight142.09 g/mol
Exact Mass142.02
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;phosphonous acid
SMILESOPO.c1cc2ccc1-2
InChIInChI=1S/C6H4.H3O2P/c1-2-6-4-3-5(1)6;1-3-2/h1-4H;1-3H
InChIKeyASCITHQRLQIZOM-UHFFFAOYSA-N
XLogP1.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.09
LogP ≤ 51.15
H-Bond Donors ≤ 52
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 bicyclo[2.2.0]hexa-1,3,5-triene;phosphonous acid?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;phosphonous acid (CID 22734567) is bicyclo[2.2.0]hexa-1,3,5-triene;phosphonous acid.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;phosphonous acid?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;phosphonous acid is OPO.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;phosphonous acid?
The InChIKey is ASCITHQRLQIZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.H3O2P/c1-2-6-4-3-5(1)6;1-3-2/h1-4H;1-3H.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;phosphonous acid?
bicyclo[2.2.0]hexa-1,3,5-triene;phosphonous acid has a molecular weight of 142.09 g/mol, XLogP of 1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;phosphonous acid is sourced from PubChem (CID 22734567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).