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CAS Number: 42059-81-4
6-methyl-4-oxo-4H-chromene-3-carbaldehyde

Structure

 6-methyl-4-oxo-4H-chromene-3-carbaldehyde
Name: 6-methyl-4-oxo-4H-chromene-3-carbaldehyde
Synonyms:
General Information
Product Number: 42059814
CAS Registry Number: 42059-81-4
Name:
        4H-​1-​Benzopyran-​3-​carboxaldehyde, 6-​methyl-​4-​oxo-
        3-​Formyl-​6-​methylchromone; 6-​Methyl-​3-​formylchromone; 6-​Methyl-​4-​oxo-​4H-​1-​benzopyran-​3-​carboxaldehyde; 6-​Methylchromone-​3-​carboxaldehyde 
 
Chemical Formula: C11H8O3
Exact Mass: 188.05
Molecular Weight: 188.18
m/z: 188.05 (100.0%), 189.05 (12.1%), 190.05 (1.3%)
Elemental Analysis: C, 70.21; H, 4.29; O, 25.51
 
InChI: InChI=1S/C11H8O3/c1-7-2-3-10-9(4-7)11(13)8(5-12)6-14-10/h2-6H,1H3
InChIKey: GBWMIOYSMWCYIZ-UHFFFAOYSA-N
Canonical SMILES : CC1=CC2=C(C=C1)OC=C(C2=O)C=O
 
Thermal Properties Value Condition Note
Enthalpy See full text   (2)CAS
Formation Enthalpy See full text   (2)CAS
Fusion Enthalpy See full text   (2)CAS
Heat Capacity See full text   (2)CAS
Melting Point 186-189 °C   (6)CAS
Melting Point 181-183 °C Solv: ethanol (64-17-5) (5)CAS
Melting Point 173-174 °C Solv: ethanol (64-17-5); water (7732-18-5) (7)CAS

Specification

98%
References
  1. (1) Yousuf, Sammer; Acta Crystallographica, Section E: Structure Reports Online 2012, V68(10), Po2920 CAPLUS
  2. (2) Flores, Henoc; Thermochimica Acta 2006, V450(1-2), P35-37 CAPLUS
  3. (3) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
  4. (4) Su, W. K.; Organic Preparations and Procedures International 2007, V39(5), P495-502 CAPLUS
  5. (5) Zhao, Pei-Liang; Bioorganic & Medicinal Chemistry 2007, V15(5), P1888-1895 CAPLUS
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  7. (7) Cao, Linghua; Chemistry of Heterocyclic Compounds (New York, NY, United States)(Translation of Khimiya Geterotsiklicheskikh Soedinenii) 2004, V40(5), P635-640 CAPLUS
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  10. (10) Nandgaonkar, R. G.; Asian Journal of Chemistry 2005, V17(3), P2016-2018 CAPLUS
  11. (11) Kubicova, Lenka; International Electronic Conferences on Synthetic Organic Chemistry, 5th, 6th, Sept. 1-30, 2001 and 2002 [and] 7th, 8th, Nov. 1-30, 2003 and 2004 2004, P962-968 CAPLUS
  12. (12) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  13. (13) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  14. (14) Stankovicova, Henrieta; Journal of Heterocyclic Chemistry 2006, V43(4), P843-848 CAPLUS
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