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CAS Number: 4498-67-3
1H-indazole-3-carboxylic acid

Structure

1H-indazole-3-carboxylic acid
Name: 1H-indazole-3-carboxylic acid
Synonyms:
General Information
Product Number: 4498673
CAS Registry Number: 4498-67-3
Name:
1H-​Indazole-​3-​carboxylic acid
Indazole-​3-​carboxylic acid (7CI); 3(1H)​-​Indazolecarboxylic acid; 3-​Carboxy-​1H-​indazole; 3-​Carboxyindazole; NSC 520610 
 
Chemical Formula: C8H6N2O2
Exact Mass: 162.04
Molecular Weight: 162.15
m/z: 162.04 (100.0%), 163.05 (8.8%)
Elemental Analysis: C, 59.26; H, 3.73; N, 17.28; O, 19.73
 
InChI: InChI=1S/C8H6N2O2/c11-8(12)7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H,9,10)(H,11,12)
InChIKey: BHXVYTQDWMQVBI-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C2C(=C1)C(=NN2)C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 268-268.5 °C   (2)CAS
Melting Point 260 °C   (3)CAS
Melting Point 259-260 °C   (4)CAS
Melting Point 258 °C (decomp)   (5)CAS

Specification

98%

References
  1. (1) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  2. (2) Snyder, H. R.; Journal of the American Chemical Society 1952, V74, P2009-12 CAPLUS
  3. (3) GB 816531 1959 CAPLUS
  4. (4) Neber, P. W.; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1924, V57B, P778-87 CAPLUS
  5. (5) Stolle, R.; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1924, V57B, P1123-4 CAPLUS
  6. (6) Alkorta, Ibon; Structural Chemistry 2005, V16(5), P507-514 CAPLUS
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