sodium;hydride;2-phenoxypropanoic acid

C9H11NaO3 — CID 174562261

IUPACsodium;hydride;2-phenoxypropanoic acid
SMILESCC(Oc1ccccc1)C(=O)O.[H-].[Na+]
InChIInChI=1S/C9H10O3.Na.H/c1-7(9(10)11)12-8-5-3-2-4-6-8;;/h2-7H,1H3,(H,10,11);;/q;+1;-1
InChIKeyNECACWVJQIVYDQ-UHFFFAOYSA-N
MW190.17 g/mol
LogP-1.35
Rot. Bonds3

About sodium;hydride;2-phenoxypropanoic acid

sodium;hydride;2-phenoxypropanoic acid (PubChem CID 174562261) has the molecular formula C9H11NaO3 and a molecular weight of 190.17 g/mol. Its IUPAC name is sodium;hydride;2-phenoxypropanoic acid.

Molecular Properties

Compound Namesodium;hydride;2-phenoxypropanoic acid
PubChem CID174562261
Molecular FormulaC9H11NaO3
Molecular Weight190.17 g/mol
Exact Mass190.06
IUPAC Namesodium;hydride;2-phenoxypropanoic acid
SMILESCC(Oc1ccccc1)C(=O)O.[H-].[Na+]
InChIInChI=1S/C9H10O3.Na.H/c1-7(9(10)11)12-8-5-3-2-4-6-8;;/h2-7H,1H3,(H,10,11);;/q;+1;-1
InChIKeyNECACWVJQIVYDQ-UHFFFAOYSA-N
XLogP-1.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 5-1.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

potassium;hydride;2-phenoxypropanoic acid
CID 174805355
2-phenoxypropanoic acid;hydrofluoride
CID 161153787
2-(4-anilinophenoxy)propanoic acid
CID 43519559
(2R)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490297
(2S)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490295
2-(4-fluorophenoxy)propanoic acid
CID 3872140
2-(4-propan-2-ylphenoxy)propanoic acid
CID 3252680
2-methylidene-3-phenoxybutanoic acid
CID 21464511
2-pyridin-3-yloxypropanoic acid
CID 22668209
2-phenoxypropanoic acid;11-phenoxyundecanoic acid
CID 67508257
N-methyl-2-phenoxypropanamide
CID 4626974
2-[4-(4-methylphenyl)phenoxy]propanoic acid
CID 16769111

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-phenoxypropanoic acid?
The IUPAC name of sodium;hydride;2-phenoxypropanoic acid (CID 174562261) is sodium;hydride;2-phenoxypropanoic acid.
What is the SMILES notation for sodium;hydride;2-phenoxypropanoic acid?
The canonical SMILES for sodium;hydride;2-phenoxypropanoic acid is CC(Oc1ccccc1)C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-phenoxypropanoic acid?
The InChIKey is NECACWVJQIVYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.Na.H/c1-7(9(10)11)12-8-5-3-2-4-6-8;;/h2-7H,1H3,(H,10,11);;/q;+1;-1.
What are the key properties of sodium;hydride;2-phenoxypropanoic acid?
sodium;hydride;2-phenoxypropanoic acid has a molecular weight of 190.17 g/mol, XLogP of -1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-phenoxypropanoic acid is sourced from PubChem (CID 174562261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).