3-Ethoxy-4-(ethoxycarbonyl)benzeneacetic acid

CAS Registry Number®

99469-99-5
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CAS Name

3-Ethoxy-4-(ethoxycarbonyl)benzeneacetic acid

Molecular Formula

C13H16O5

Molecular Mass

252.26

Cite this Page

3-Ethoxy-4-(ethoxycarbonyl)benzeneacetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=99469-99-5 (retrieved 2024-07-21) (CAS RN: 99469-99-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H16O5/c1-3-17-11-7-9(8-12(14)15)5-6-10(11)13(16)18-4-2/h5-7H,3-4,8H2,1-2H3,(H,14,15)

InChIKey

InChIKey=OTGSESBEJUHCES-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(OCC)C1=CC=C(C=C1OCC)CC(=O)O

Other Names for this Substance

  • Benzeneacetic acid, 3-ethoxy-4-(ethoxycarbonyl)-
  • 3-Ethoxy-4-(ethoxycarbonyl)benzeneacetic acid
  • [3-Ethoxy-4-(ethoxycarbonyl)phenyl]acetic acid
  • Ethyl 4-carboxymethyl-2-ethoxybenzoate
  • 2-[3-Ethoxy-4-(ethoxycarbonyl)phenyl]acetic acid

Deleted or Replaced CAS Registry Numbers

219921-54-7