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CAS Number: 34014-51-2
1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid

Structure

1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
Name: 1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
Synonyms:
General Information
Product Number: 34014512

CAS Registry Number 34014-51-2
Name:
4-​Isoquinolinecarboxyl​ic acid, 1,​2-​dihydro-​1-​oxo-
1-Oxo-1,2-dihydroisoquinoline-4-carboxylic acid
Isocarbostyril-4-carboxylic acid

 

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/c12-9-7-4-2-1-3-6(7)8(5-11-9)10(13)14/h1-5H,(H,11,12)(H,13,14)

InChI Key:IMEDZEDITFIMAK-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C(=CNC2=O)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 296-297 °C (decomp)   (4)IC
Melting Point 295-296 °C   (5)CAS
Melting Point 295-296 °C (decomp)   (6)CAS
Melting Point >250 °C   (7)CAS
Melting Point 200-201 °C   (3)IC

Specification

98%

References
  1. (3) Wolfbeis, Otto S.; Liebigs Annalen der Chemie 1981, (5), P819-27 CAPLUS
  2. (4) Kimura, Masayasu; Chemical & Pharmaceutical Bulletin 1983, V31(4), P1277-82 CAPLUS
  3. (5) Vitkovskii, D. P.; Zhurnal Obshchei Khimii 1951, V21, P1033-45 CAPLUS
  4. (6) Vitkovskii, D. P.; Zhurnal Obshchei Khimii 1951, V21, P540-7 CAPLUS
  5. (7) Sercel, Anthony D.; Synthetic Communications 2007, V37(23), P4199-4208 CAPLUS
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