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CAS Number: 61424-76-8
2-amino-4-oxo-4H-chromene-3-carbaldehyde

Structure

2-amino-4-oxo-4H-chromene-3-carbaldehyde
Name: 2-amino-4-oxo-4H-chromene-3-carbaldehyde
Synonyms:
General Information
Product Number: 61424768

CAS Registry Number 61424-76-8
Name:
4H-?1-?Benzopyran-?3-?carboxaldehyde, 2-?amino-?4-?oxo-
2-Amino-4-oxo-4H-1-benzopyran-3-carboxaldehyde
2-Amino-3-formylchromone
2-Amino-4-oxo-4H-chromene-3-carboxaldehyde

 

Chemical Formula: C10H7NO3
Exact Mass: 189.04
Molecular Weight: 189.17
m/z: 189.04 (100.0%), 190.05 (11.0%), 191.05 (1.2%)

 

InChI:InChI=1S/C10H7NO3/c11-10-7(5-12)9(13)6-3-1-2-4-8(6)14-10/h1-5H,11H2

InChI Key:TVGIYZVZBKAJRR-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C(=O)C(=C(O2)N)C=O

 

Thermal Properties Value Condition Note
Melting Point 252-255 °C (decomp)   (2)IC
Melting Point 252-255 °C (decomp)   (3)IC
Melting Point 252-255 °C (decomp) Solv: ethyl acetate (141-78-6) (4)IC
Melting Point 250 °C   (5)IC
Melting Point 250 °C Solv: acetic acid (64-19-7) (6)IC
Melting Point 248-250 °C   (7)IC

Specification

98%

References
  1. (2) Ishiguro, Toshihiro; Heterocycles 1981, V16(5), P733-40 CAPLUS
  2. (3) Nohara, Akira; Journal of Medicinal Chemistry 1985, V28(5), P559-68 CAPLUS
  3. (4) Nohara, Akira; JP 61010588 A 1986 CAPLUS
  4. (5) Ghosh, Chandra Kanta; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 1983, V22B(12), P1200-4 CAPLUS
  5. (6) Ghosh, Chandrakanta; Journal of Organic Chemistry 1980, V45(10), P1964-8 CAPLUS
  6. (7) Petersen, Uwe; Justus Liebigs Annalen der Chemie 1976, (9), P1659-62 CAPLUS
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