Isoxepac
CAS Registry Number®
55453-87-7
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CAS Name
IsoxepacMolecular Formula
C16H12O4Molecular Mass
268.26Cite this Page
Isoxepac. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=55453-87-7 (retrieved ) (CAS RN: 55453-87-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
131-132.5 °CDensity (2)
1.39 g/cm³
Source(s)
- (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)
- (2) Matsuzawa, Etsuyo Shimizu; Acta Crystallographica, Section C: Crystal Structure Communications, (1992), C48(11), 2016-19, CAplus
Other Names and Identifiers
InChI
InChI=1S/C16H12O4/c17-15(18)8-10-5-6-14-13(7-10)16(19)12-4-2-1-3-11(12)9-20-14/h1-7H,8-9H2,(H,17,18)
InChIKey
InChIKey=QFGMXJOBTNZHEL-UHFFFAOYSA-N
SMILES
O=C1C=2C(OCC=3C1=CC=CC3)=CC=C(CC(O)=O)C2
Canonical SMILES
O=C(O)CC1=CC=C2OCC=3C=CC=CC3C(=O)C2=C1
Other Names for this Substance
- Dibenz[b,e]oxepin-2-acetic acid, 6,11-dihydro-11-oxo-
- 6,11-Dihydro-11-oxodibenz[b,e]oxepin-2-acetic acid
- Isoxepac
- HP 549
- 11-Oxo-6,11-dihydrodibenz[b,e]oxepin-2-acetic acid
