sodium;hydride;phenyl acetate

C8H9NaO2 — CID 159991718

IUPACsodium;hydride;phenyl acetate
SMILESCC(=O)Oc1ccccc1.[H-].[Na+]
InChIInChI=1S/C8H8O2.Na.H/c1-7(9)10-8-5-3-2-4-6-8;;/h2-6H,1H3;;/q;+1;-1
InChIKeyOHAKKSPDGVLAFQ-UHFFFAOYSA-N
MW160.15 g/mol
LogP-1.27
Rot. Bonds1

About sodium;hydride;phenyl acetate

sodium;hydride;phenyl acetate (PubChem CID 159991718) has the molecular formula C8H9NaO2 and a molecular weight of 160.15 g/mol. Its IUPAC name is sodium;hydride;phenyl acetate.

Molecular Properties

Compound Namesodium;hydride;phenyl acetate
PubChem CID159991718
Molecular FormulaC8H9NaO2
Molecular Weight160.15 g/mol
Exact Mass160.05
IUPAC Namesodium;hydride;phenyl acetate
SMILESCC(=O)Oc1ccccc1.[H-].[Na+]
InChIInChI=1S/C8H8O2.Na.H/c1-7(9)10-8-5-3-2-4-6-8;;/h2-6H,1H3;;/q;+1;-1
InChIKeyOHAKKSPDGVLAFQ-UHFFFAOYSA-N
XLogP-1.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.15
LogP ≤ 5-1.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 70517650
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CID 70298210
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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;phenyl acetate?
The IUPAC name of sodium;hydride;phenyl acetate (CID 159991718) is sodium;hydride;phenyl acetate.
What is the SMILES notation for sodium;hydride;phenyl acetate?
The canonical SMILES for sodium;hydride;phenyl acetate is CC(=O)Oc1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;phenyl acetate?
The InChIKey is OHAKKSPDGVLAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.Na.H/c1-7(9)10-8-5-3-2-4-6-8;;/h2-6H,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;phenyl acetate?
sodium;hydride;phenyl acetate has a molecular weight of 160.15 g/mol, XLogP of -1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;phenyl acetate is sourced from PubChem (CID 159991718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).