812675-59-5
3H-PYRIMIDO[5,4-B]INDOLE-9-CARBOXYLIC ACID, 4,5-DIHYDRO-5-METHYL-4-OXO-
Name3H-PYRIMIDO[5,4-B]INDOLE-9-CARBOXYLIC ACID, 4,5-DIHYDRO-5-METHYL-4-OXO-
1Identification
【Name】
3H-PYRIMIDO[5,4-B]INDOLE-9-CARBOXYLIC ACID, 4,5-DIHYDRO-5-METHYL-4-OXO-
【CAS】
【MDL】
MFCD17018610
【English Synonyms】
【Formula】
C12 H9 N3 O3
【MolWeight】
243.221
【Inchi】
InChI=1S/C12H9N3O3/c1-15-7-4-2-3-6(12(17)18)8(7)9-10(15)11(16)14-5-13-9/h2-5H,1H3,(H,17,18)(H,13,14,16)
【InChIKey】
InChIKey=KSLXEGHFVGFYMB-UHFFFAOYSA-N
【SMILES】
Cn1c2cccc(c2c3c1c(=O)[nH]cn3)C(=O)O
【MOL File】
3H-PYRIMIDO[5,4-B]IN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3H-PYRIMIDO[5,4-B]INDOLE-9-CARBOXYLIC ACID, 4,5-DIHYDRO-5-METHYL-4-OXO-.cml