CAS Registry Number: 4430-77-7

Name:

Pyrido[2,​3-​d]​pyridazine-​5,​8-​dione, 6,​7-​dihydro-
2,​3-​Pyridinedicarboxylic acid, cyclic hydrazide; 6,​7-​Diaza-​5,​8-​dioxo-​5,​6,​7,​8-​tetrahydroquinoline; 6,​7-​Dihydropyrido[2,​3-​d]​pyridazine-​5,​8-​dione; NSC 131213; NSC 131226; NSC 3846; Pyrido[2,​3-​d]​pyridazine-​5,​8-​diol; Quinolinic hydrazide 

Chemical Formula: C7H5N3O2
Exact Mass: 163.04
Molecular Weight: 163.13
m/z: 163.04 (100.0%), 164.04 (8.8%)
Elemental Analysis: C, 51.54; H, 3.09; N, 25.76; O, 19.62

InChI: InChI=1S/C7H5N3O2/c11-6-4-2-1-3-8-5(4)7(12)10-9-6/h1-3H,(H,9,11)(H,10,12)
InChIKey: DKOROYSYZIOJRG-UHFFFAOYSA-N
Canonical SMILES : C1=CC2=C(C(=O)NNC2=O)N=C1

Specification

98%

1. (1) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
2. (2) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
3. (3) Lora-Tamayo, Manuel; Anales de Quimica (1968-1979) 1969, V65(12), P1125-38 CAPLUS
4. (4) Hemmerich, P.; Helvetica Chimica Acta 1958, V41, P498-513 CAPLUS