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CAS Number: 51593-70-5
1-(2H-chromen-3-yl)ethanone

Structure

1-(2H-chromen-3-yl)ethanone
Name: 1-(2H-chromen-3-yl)ethanone
Synonyms:
General Information
Product Number: 51593705

CAS Registry Number 51593-70-5
Name:
Ethanone, 1-?(2H-?1-?benzopyran-?3-?yl)?-
1-(2H-1-Benzopyran-3-yl)ethanone
3-Acetyl-2H-chromene

 

Chemical Formula: C11H10O2
Exact Mass: 174.07
Molecular Weight: 174.20
m/z: 174.07 (100.0%), 175.07 (12.1%), 176.07 (1.1%)

 

InChI:InChI=1S/C11H10O2/c1-8(12)10-6-9-4-2-3-5-11(9)13-7-10/h2-6H,7H2,1H3

InChI Key:SPWAIRGUACCVAD-UHFFFAOYSA-N

Canonical SMILES:CC(=O)C1=CC2=CC=CC=C2OC1

 

Thermal Properties Value Condition Note
Boiling Point 124 °C Press: 2 Torr (1)IC
Melting Point 86 °C   (3)CAS
Melting Point 84-86 °C   (2)CAS
Melting Point 58-60 °C   (5)IC
Melting Point 53 °C   (7)CAS

Specification

98%

References
  1. (1) Shimizu, Tomio; Bulletin of the Chemical Society of Japan 1981, V54(1), P217-22 CAPLUS
  2. (2) Rhee, Jong Uk; Organic Letters 2005, V7(12), P2493-2495 CAPLUS
  3. (3) Bera, Krishnendu; Journal of Organic Chemistry 2011, V76(9), P3539-3544 CAPLUS
  4. (5) Brion, Jean Daniel; EP 337885 A1 1989 CAPLUS
  5. (7) Meenakshi, C.; International Journal of Chemical Sciences 2006, V4(1), P125-126 CAPLUS
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