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CAS Number: 74214-63-4
9H-pyrido[3,4-b]indole-3-carboxylic acid

Structure

 9H-pyrido[3,4-b]indole-3-carboxylic acid
Name: 9H-pyrido[3,4-b]indole-3-carboxylic acid
Synonyms:
General Information
Product Number: 74214634

CAS Registry Number 74214-63-4
Name:
9H-?Pyrido[3,?4-?b]?indole-?3-?carboxylic acid
3-Carboxy-β-carboline
NSC 623957
Norharmane-3-carboxylic acid
β-Carboline-3-carboxylic acid

 

Chemical Formula: C12H8N2O2
Exact Mass: 212.06
Molecular Weight: 212.20
m/z: 212.06 (100.0%), 213.06 (13.9%)

 

InChI:InChI=1S/C12H8N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-6,14H,(H,15,16)

InChI Key:ARLVFKCLBYUINL-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C3=CC(=NC=C3N2)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 310 °C   (2)IC
Melting Point 220-221 °C   (1)CAS
Melting Point 170 °C Solv: ethanol (64-17-5) (3)IC

Specification

98%
References
  1. (1) Yin, Wenyuan; Bioorganic & Medicinal Chemistry 2010, V18(21), P7548-7564 CAPLUS
  2. (2) Lippke, Klaus P.; Journal of Medicinal Chemistry 1983, V26(4), P499-503 CAPLUS
  3. (3) Agarwal, Shiv K.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 1987, V26B(8), P757-60 CAPLUS
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