133747-74-7
5-OXO-1-(4-PROPYLPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
Name5-OXO-1-(4-PROPYLPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
1Identification
【Name】
5-OXO-1-(4-PROPYLPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD08445229
【English Synonyms】
【Formula】
C14 H17 N O3
【MolWeight】
247.292
【Inchi】
InChI=1S/C14H17NO3/c1-2-3-10-4-6-12(7-5-10)15-9-11(14(17)18)8-13(15)16/h4-7,11H,2-3,8-9H2,1H3,(H,17,18)
【InChIKey】
InChIKey=FCAJUGBVJNATGI-UHFFFAOYSA-N
【SMILES】
CCCc1ccc(cc1)N2CC(CC2=O)C(=O)O
【MOL File】
5-OXO-1-(4-PROPYLPHE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-OXO-1-(4-PROPYLPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID.cml