bicyclo[2.2.1]hept-2-ene;phosphoric acid

C7H13O4P — CID 67864295

IUPACbicyclo[2.2.1]hept-2-ene;phosphoric acid
SMILESC1=CC2CCC1C2.O=P(O)(O)O
InChIInChI=1S/C7H10.H3O4P/c1-2-7-4-3-6(1)5-7;1-5(2,3)4/h1-2,6-7H,3-5H2;(H3,1,2,3,4)
InChIKeyGXIOVOOCWGIMHL-UHFFFAOYSA-N
MW192.15 g/mol
LogP1.04
Rot. Bonds

About bicyclo[2.2.1]hept-2-ene;phosphoric acid

bicyclo[2.2.1]hept-2-ene;phosphoric acid (PubChem CID 67864295) has the molecular formula C7H13O4P and a molecular weight of 192.15 g/mol. Its IUPAC name is bicyclo[2.2.1]hept-2-ene;phosphoric acid.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-2-ene;phosphoric acid
PubChem CID67864295
Molecular FormulaC7H13O4P
Molecular Weight192.15 g/mol
Exact Mass192.06
IUPAC Namebicyclo[2.2.1]hept-2-ene;phosphoric acid
SMILESC1=CC2CCC1C2.O=P(O)(O)O
InChIInChI=1S/C7H10.H3O4P/c1-2-7-4-3-6(1)5-7;1-5(2,3)4/h1-2,6-7H,3-5H2;(H3,1,2,3,4)
InChIKeyGXIOVOOCWGIMHL-UHFFFAOYSA-N
XLogP1.04
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.15
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hept-2-ene;phosphoric acid?
The IUPAC name of bicyclo[2.2.1]hept-2-ene;phosphoric acid (CID 67864295) is bicyclo[2.2.1]hept-2-ene;phosphoric acid.
What is the SMILES notation for bicyclo[2.2.1]hept-2-ene;phosphoric acid?
The canonical SMILES for bicyclo[2.2.1]hept-2-ene;phosphoric acid is C1=CC2CCC1C2.O=P(O)(O)O.
What is the InChIKey of bicyclo[2.2.1]hept-2-ene;phosphoric acid?
The InChIKey is GXIOVOOCWGIMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.H3O4P/c1-2-7-4-3-6(1)5-7;1-5(2,3)4/h1-2,6-7H,3-5H2;(H3,1,2,3,4).
What are the key properties of bicyclo[2.2.1]hept-2-ene;phosphoric acid?
bicyclo[2.2.1]hept-2-ene;phosphoric acid has a molecular weight of 192.15 g/mol, XLogP of 1.04, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hept-2-ene;phosphoric acid is sourced from PubChem (CID 67864295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).