2-diphenylphosphanylacetic acid;nickel monohydride

C14H13NiO2P — CID 134992142

IUPAC2-diphenylphosphanylacetic acid;nickel monohydride
SMILESO=C(O)CP(c1ccccc1)c1ccccc1.[Ni]
InChIInChI=1S/C14H13O2P.Ni/c15-14(16)11-17(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10H,11H2,(H,15,16);
InChIKeyZGDOGUBICBNUPK-UHFFFAOYSA-N
MW302.92 g/mol
LogP2.20
Rot. Bonds4

About 2-diphenylphosphanylacetic acid;nickel monohydride

2-diphenylphosphanylacetic acid;nickel monohydride (PubChem CID 134992142) has the molecular formula C14H13NiO2P and a molecular weight of 302.92 g/mol. Its IUPAC name is 2-diphenylphosphanylacetic acid;nickel monohydride.

Molecular Properties

Compound Name2-diphenylphosphanylacetic acid;nickel monohydride
PubChem CID134992142
Molecular FormulaC14H13NiO2P
Molecular Weight302.92 g/mol
Exact Mass302.00
IUPAC Name2-diphenylphosphanylacetic acid;nickel monohydride
SMILESO=C(O)CP(c1ccccc1)c1ccccc1.[Ni]
InChIInChI=1S/C14H13O2P.Ni/c15-14(16)11-17(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10H,11H2,(H,15,16);
InChIKeyZGDOGUBICBNUPK-UHFFFAOYSA-N
XLogP2.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.92
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanylacetic acid;nickel monohydride?
The IUPAC name of 2-diphenylphosphanylacetic acid;nickel monohydride (CID 134992142) is 2-diphenylphosphanylacetic acid;nickel monohydride.
What is the SMILES notation for 2-diphenylphosphanylacetic acid;nickel monohydride?
The canonical SMILES for 2-diphenylphosphanylacetic acid;nickel monohydride is O=C(O)CP(c1ccccc1)c1ccccc1.[Ni].
What is the InChIKey of 2-diphenylphosphanylacetic acid;nickel monohydride?
The InChIKey is ZGDOGUBICBNUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13O2P.Ni/c15-14(16)11-17(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10H,11H2,(H,15,16);.
What are the key properties of 2-diphenylphosphanylacetic acid;nickel monohydride?
2-diphenylphosphanylacetic acid;nickel monohydride has a molecular weight of 302.92 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanylacetic acid;nickel monohydride is sourced from PubChem (CID 134992142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).