Chemical Properties of 3-Hydroxyhippuric acid, di-TMS (CAS 56272-74-3)

InChI

InChI=1S/C15H25NO4Si2/c1-21(2,3)19-13-9-7-8-12(10-13)15(18)16-11-14(17)20-22(4,5)6/h7-10H,11H2,1-6H3,(H,16,18)

InChI Key

VBPOBZKSUYGRGI-UHFFFAOYSA-N

Formula

C15H25NO4Si2

SMILES

C[Si](C)(C)OC(=O)CNC(=O)c1cccc(O[Si](C)(C)C)c1

Molecular Weight¹

339.53

CAS

56272-74-3

Other Names

• Hippuric acid, 3-hydroxy, TMS, #2

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	0.59		Crippen Calculated Property
logPoct/wat	3.008		Crippen Calculated Property
Inp	[2117.00; 2160.00]
Inp	2117.00		NIST
Inp	2160.00		NIST
Inp	2121.00		NIST

Similar Compounds

Find more compounds similar to 3-Hydroxyhippuric acid, di-TMS.

Sources

• Crippen Method
• Crippen Method
• NIST Webbook

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