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Pentanoic acid, 2-(hydroxymethyl)-4-methyl-, methyl ester

Base Information
  • Chemical Name:Pentanoic acid, 2-(hydroxymethyl)-4-methyl-, methyl ester
  • CAS No.:403804-65-9
  • Molecular Formula:C8H16O3
  • Molecular Weight:160.213
  • Hs Code.:
  • DSSTox Substance ID:DTXSID50472758
  • Nikkaji Number:J2.169.842C
  • Mol file:403804-65-9.mol
Pentanoic acid, 2-(hydroxymethyl)-4-methyl-, methyl ester

Synonyms:403804-65-9;methyl 2-(hydroxymethyl)-4-methylpentanoate;Pentanoic acid, 2-(hydroxymethyl)-4-methyl-, methyl ester;SCHEMBL15140463;DTXSID50472758;EN300-1296858

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Chemical Property of Pentanoic acid, 2-(hydroxymethyl)-4-methyl-, methyl ester
Chemical Property:
  • PSA:46.53000 
  • LogP:0.81400 
  • XLogP3:1.1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Rotatable Bond Count:5
  • Exact Mass:160.109944368
  • Heavy Atom Count:11
  • Complexity:121
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC(C)CC(CO)C(=O)OC
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