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CAS Number: 70758-25-7
5-amino-1H-isochromen-1-one

Structure

5-amino-1H-isochromen-1-one
Name: 5-amino-1H-isochromen-1-one
Synonyms:
General Information
Product Number: 70758257

CAS Registry Number 70758-25-7
Name:
1H-​2-​Benzopyran-​1-​one, 5-​amino-
5-Aminoisochromen-1-one
5-Aminoisocoumarin

 

Chemical Formula: C9H7NO2
Exact Mass: 161.05
Molecular Weight: 161.16
m/z: 161.05 (100.0%), 162.05 (9.9%)

 

InChI:InChI=1S/C9H7NO2/c10-8-3-1-2-7-6(8)4-5-12-9(7)11/h1-5H,10H2

InChI Key:OFELFQJDRMOISA-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=COC2=O)C(=C1)N

 

Thermal Properties Value Condition Note
Melting Point 194-195 °C   (2)IC
Melting Point 189.5-191 °C Solv: methanol (67-56-1) (1)IC

Specification

98%

References
  1. (1) Kaneko, Chikara; Chemical & Pharmaceutical Bulletin 1979, V27(4), P946-52 CAPLUS
  2. (2) Somei, Masanori; Chemical & Pharmaceutical Bulletin 1981, V29(1), P249-53 CAPLUS
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