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CAS Number: 15007-07-5
3,6-dimethoxy-9H-xanthen-9-one

Structure

3,6-dimethoxy-9H-xanthen-9-one
Name: 3,6-dimethoxy-9H-xanthen-9-one
Synonyms:
General Information
Product Number: 15007075

CAS Registry Number 15007-07-5
Name:
9H-​Xanthen-​9-​one, 3,​6-​dimethoxy-
Xanthen-9-one, 3,6-dimethoxy- (6CI,8CI)
3,6-Dimethoxy-9H-xanthen-9-one
3,6-Dimethoxyxanthone

 

Chemical Formula: C15H12O4
Exact Mass: 256.07
Molecular Weight: 256.25
m/z: 256.07 (100.0%), 257.08 (16.5%), 258.08 (2.1%)

 

InChI:InChI=1S/C15H12O4/c1-17-9-3-5-11-13(7-9)19-14-8-10(18-2)4-6-12(14)15(11)16/h3-8H,1-2H3

InChI Key:XAXSPYAXUNVJBL-UHFFFAOYSA-N

Canonical SMILES:COC1=CC2=C(C=C1)C(=O)C3=C(O2)C=C(C=C3)OC

 

Thermal Properties Value Condition Note
Melting Point 187-188 °C   (2)IC
Melting Point 187 °C   (3)CAS
Melting Point 186-187 °C   (4)CAS
Melting Point 185 °C Solv: ethanol (64-17-5) (5)IC
Melting Point 184-186 °C Solv: ethanol (64-17-5) (6)CAS
Melting Point 180-182 °C Solv: methanol (67-56-1) (7)IC
Melting Point 180 °C   (8)CAS

Specification

98%

References
  1. (2) Gorvin, John H.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1979, (5), P1364-70 CAPLUS
  2. (3) Geiger, Suzanne; Chimica Therapeutica 1966, (7), P425-37 CAPLUS
  3. (4) Grover, P. K.; Journal of the Chemical Society 1955, P3982-5 CAPLUS
  4. (5) Ueda, Shuichi; Bulletin of the Chemical Society of Japan 1977, V50(1), P193-6 CAPLUS
  5. (6) Goldberg, A. A.; Journal of the Chemical Society 1958, P4227-34 CAPLUS
  6. (7) Khan, M. S. Y.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 1990, V29B(12), P1101-6 CAPLUS
  7. (8) Baeyer, Adolf; Annalen der Chemie, Justus Liebigs 1910, V372, P80-151 CAPLUS
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