CID 131875092

C6H7BaO4P — CID 131875092

IUPAC—
SMILESO=P(O)(O)Oc1ccccc1.[Ba]
InChIInChI=1S/C6H7O4P.Ba/c7-11(8,9)10-6-4-2-1-3-5-6;/h1-5H,(H2,7,8,9);
InChIKeyYNSDWOZIHXSSAR-UHFFFAOYSA-N
MW311.42 g/mol
LogP0.78
Rot. Bonds2

About CID 131875092

CID 131875092 (PubChem CID 131875092) has the molecular formula C6H7BaO4P and a molecular weight of 311.42 g/mol.

Molecular Properties

Compound NameCID 131875092
PubChem CID131875092
Molecular FormulaC6H7BaO4P
Molecular Weight311.42 g/mol
Exact Mass311.91
IUPAC Name—
SMILESO=P(O)(O)Oc1ccccc1.[Ba]
InChIInChI=1S/C6H7O4P.Ba/c7-11(8,9)10-6-4-2-1-3-5-6;/h1-5H,(H2,7,8,9);
InChIKeyYNSDWOZIHXSSAR-UHFFFAOYSA-N
XLogP0.78
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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[4-[1,2-diphenyl-2-(4-phosphonooxyphenyl)ethenyl]phenyl] dihydrogen phosphate
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tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;silane
CID 175425543
diphenyl hydrogen phosphate;dihydrate
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(4-phenyldiazenylphenyl) dihydrogen phosphate
CID 21275212
(4-tritylphenyl) dihydrogen phosphate
CID 154267652
bis(2-aminoethylazanide);cobalt;bis(ethane-1,2-diamine);bis(phenyl dihydrogen phosphate)
CID 6398139
[hydroxy(phenoxy)phosphoryl]oxidanium
CID 102269872

Frequently Asked Questions

What is the IUPAC name of CID 131875092?
The IUPAC name of CID 131875092 (CID 131875092) is not available.
What is the SMILES notation for CID 131875092?
The canonical SMILES for CID 131875092 is O=P(O)(O)Oc1ccccc1.[Ba].
What is the InChIKey of CID 131875092?
The InChIKey is YNSDWOZIHXSSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7O4P.Ba/c7-11(8,9)10-6-4-2-1-3-5-6;/h1-5H,(H2,7,8,9);.
What are the key properties of CID 131875092?
CID 131875092 has a molecular weight of 311.42 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131875092 is sourced from PubChem (CID 131875092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).