530092-32-1
2-METHYL-4-(PYRROLIDIN-1-YL)BENZOIC ACID
Name2-METHYL-4-(PYRROLIDIN-1-YL)BENZOIC ACID
1Identification
【Name】
2-METHYL-4-(PYRROLIDIN-1-YL)BENZOIC ACID
【CAS】
【MDL】
MFCD16686637
【English Synonyms】
【Formula】
C12 H15 N O2
【MolWeight】
205.255
【Inchi】
InChI=1S/C12H15NO2/c1-9-8-10(13-6-2-3-7-13)4-5-11(9)12(14)15/h4-5,8H,2-3,6-7H2,1H3,(H,14,15)
【InChIKey】
InChIKey=QURJBOJPCIBSDM-UHFFFAOYSA-N
【SMILES】
Cc1cc(ccc1C(=O)O)N2CCCC2
【MOL File】
2-METHYL-4-(PYRROLID….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-METHYL-4-(PYRROLIDIN-1-YL)BENZOIC ACID.cml