908334-11-2
1-AZETIDINECARBOXYLIC ACID, 3-(3-CARBOXYPHENYL)-, 1-(1,1-DIMETHYLETHYL) ESTER
Name1-AZETIDINECARBOXYLIC ACID, 3-(3-CARBOXYPHENYL)-, 1-(1,1-DIMETHYLETHYL) ESTER
1Identification
【Name】
1-AZETIDINECARBOXYLIC ACID, 3-(3-CARBOXYPHENYL)-, 1-(1,1-DIMETHYLETHYL) ESTER
【CAS】
【MDL】
MFCD08460716
【English Synonyms】
【Formula】
C15 H19 N O4
【MolWeight】
277.318
【Inchi】
InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-8-12(9-16)10-5-4-6-11(7-10)13(17)18/h4-7,12H,8-9H2,1-3H3,(H,17,18)
【InChIKey】
InChIKey=VWUUJVLWOMFHCY-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CC(C1)c2cccc(c2)C(=O)O
【MOL File】
1-AZETIDINECARBOXYLI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1-AZETIDINECARBOXYLIC ACID, 3-(3-CARBOXYPHENYL)-, 1-(1,1-DIMETHYLETHYL) ESTER.cml