CAS Registry Number®
55453-87-7
CAS Name
Isoxepac
Molecular Formula
C16H12O4
Molecular Mass
268.26
Compound Properties
-
Melting Point (1)
131-132.5 °C
-
Density (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
- Artil
- P 720549
- NSC 300907
- 11-Oxo-6,11-dihydrodibenzo[b,e]oxepin-2-acetic acid
- 2-(11-Oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid
