1,3,5-Benzenetriacetic acid

CAS Registry Number®

4435-67-0
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CAS Name

1,3,5-Benzenetriacetic acid

Molecular Formula

C12H12O6

Molecular Mass

252.22

Cite this Page

1,3,5-Benzenetriacetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=4435-67-0 (retrieved 2024-04-27) (CAS RN: 4435-67-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    197-204 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H12O6/c13-10(14)4-7-1-8(5-11(15)16)3-9(2-7)6-12(17)18/h1-3H,4-6H2,(H,13,14)(H,15,16)(H,17,18)

InChIKey

InChIKey=AJEIBHNKBLRDNT-UHFFFAOYSA-N

SMILES

C(C(O)=O)C1=CC(CC(O)=O)=CC(CC(O)=O)=C1

Canonical SMILES

O=C(O)CC=1C=C(C=C(C1)CC(=O)O)CC(=O)O

Other Names for this Substance

  • 1,3,5-Benzenetriacetic acid
  • s-Phenenyltriacetic acid
  • (3,5-Bis-carboxymethylphenyl)acetic acid
  • NSC 408182
  • 2,2′,2′′-(Benzene-1,3,5-triyl)triacetic acid

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