6,7,8,9-Tetrahydro-5-oxo-5H-benzocycloheptene-6-acetic acid

CAS Registry Number®

6742-32-1
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CAS Name

6,7,8,9-Tetrahydro-5-oxo-5H-benzocycloheptene-6-acetic acid

Molecular Formula

C13H14O3

Molecular Mass

218.25

Cite this Page

6,7,8,9-Tetrahydro-5-oxo-5H-benzocycloheptene-6-acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6742-32-1 (retrieved 2024-07-08) (CAS RN: 6742-32-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    135-137 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C13H14O3/c14-12(15)8-10-6-3-5-9-4-1-2-7-11(9)13(10)16/h1-2,4,7,10H,3,5-6,8H2,(H,14,15)

InChIKey

InChIKey=PYYIEBMODWJEII-UHFFFAOYSA-N

SMILES

O=C1C=2C(CCCC1CC(O)=O)=CC=CC2

Canonical SMILES

O=C(O)CC1C(=O)C=2C=CC=CC2CCC1

Other Names for this Substance

  • 5H-Benzocycloheptene-6-acetic acid, 6,7,8,9-tetrahydro-5-oxo-
  • 6,7,8,9-Tetrahydro-5-oxo-5H-benzocycloheptene-6-acetic acid
  • NSC 401469
  • 2-[5-Oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]acetic acid
  • 2-(5-Oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)acetic acid