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CAS Number: 117570-53-3
2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid

Structure

2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid
Name: 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid
Synonyms:
General Information
Product Number: 117570533

CAS Registry Number 117570-53-3
Name:
9H-​Xanthene-​4-​acetic acid, 5,​6-​dimethyl-​9-​oxo-
2-(5,6-Dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid
5,6-Dimethyl-9-oxo-9H-xanthen-4-ylacetic acid
5,6-Dimethylxanthenone-4-acetic acid
AS 1404
ASA 404

 

Chemical Formula: C17H14O4
Exact Mass: 282.09
Molecular Weight: 282.29
m/z: 282.09 (100.0%), 283.09 (18.5%), 284.10 (1.6%)

 

InChI:InChI=1S/C17H14O4/c1-9-6-7-13-15(20)12-5-3-4-11(8-14(18)19)17(12)21-16(13)10(9)2/h3-7H,8H2,1-2H3,(H,18,19)

InChI Key:XGOYIMQSIKSOBS-UHFFFAOYSA-N

Canonical SMILES:CC1=C(C2=C(C=C1)C(=O)C3=C(O2)C(=CC=C3)CC(=O)O)C

Specification

98%

References
  1. (1) Pili, Roberto; Clinical Cancer Research 2010, V16(10), P2906-2914 CAPLUS
  2. (2) Zhang, Xiaosong; Journal of Chromatography B: Analytical Technologies in the Biomedical and Life Sciences 2007, V852(1-2), P217-222 CAPLUS
  3. (3) McKeage, M. J.; British Journal of Cancer 2008, V99(12), P2006-2012 CAPLUS
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