1,3-Adamantanediacetic acid

CAS Registry Number®

17768-28-4

CAS Name

1,3-Adamantanediacetic acid

Molecular Formula

C14H20O4

Molecular Mass

252.31

Cite this Page

1,3-Adamantanediacetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17768-28-4 (retrieved 2024-11-29) (CAS RN: 17768-28-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    244-244.5 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C14H20O4/c15-11(16)6-13-2-9-1-10(4-13)5-14(3-9,8-13)7-12(17)18/h9-10H,1-8H2,(H,15,16)(H,17,18)

InChIKey

InChIKey=UTENGZNBNPABQE-UHFFFAOYSA-N

SMILES

C(C(O)=O)C12CC3(CC(O)=O)CC(C1)CC(C2)C3

Canonical SMILES

O=C(O)CC12CC3CC(C1)CC(CC(=O)O)(C3)C2

Other Names for this Substance

  • Tricyclo[3.3.1.13,7]decane-1,3-diacetic acid
  • 1,3-Adamantanediacetic acid
  • 1,3-Bis(carboxymethyl)adamantane
  • 2,2′-(Adamantane-1,3-diyl)diacetic acid
  • 2-[3-(Carboxymethyl)adamantan-1-yl]acetic acid

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