51077-13-5
1-(TERT-BUTOXYCARBONYL)-2,5-DIHYDRO-1H-PYRROLE-2-CARBOXYLIC ACID
Name1-(TERT-BUTOXYCARBONYL)-2,5-DIHYDRO-1H-PYRROLE-2-CARBOXYLIC ACID
1Identification
【Name】
1-(TERT-BUTOXYCARBONYL)-2,5-DIHYDRO-1H-PYRROLE-2-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD10686611
【English Synonyms】
【Formula】
C10 H15 N O4
【MolWeight】
213.232
【Inchi】
InChI=1S/C10H15NO4/c1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h4-5,7H,6H2,1-3H3,(H,12,13)
【InChIKey】
InChIKey=BMIGSRMSSCUMAZ-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CC=CC1C(=O)O
【MOL File】
1-(TERT-BUTOXYCARBON….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(TERT-BUTOXYCARBONYL)-2,5-DIHYDRO-1H-PYRROLE-2-CARBOXYLIC ACID.cml