1160248-35-0
5-(TERT-BUTOXYCARBONYL)-1,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOLE-3-CARBOXYLIC ACID
Name5-(TERT-BUTOXYCARBONYL)-1,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOLE-3-CARBOXYLIC ACID
1Identification
【Name】
5-(TERT-BUTOXYCARBONYL)-1,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOLE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD12198804
【EnglishSynonyms】
【pro_formula】
C11 H15 N3 O4
【pro_molWeight】
253.257
【Inchi】
InChI=1S/C11H15N3O4/c1-11(2,3)18-10(17)14-4-6-7(5-14)12-13-8(6)9(15)16/h4-5H2,1-3H3,(H,12,13)(H,15,16)
【InChIKey】
InChIKey=SBFDXYJFMPRVOE-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1Cc2c([nH]nc2C(=O)O)C1
【MOL File】
5-(TERT-BUTOXYCARBON….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:7
XLogP3:1.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
5-(TERT-BUTOXYCARBONYL)-1,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOLE-3-CARBOXYLIC ACID.cml