1786966-48-0
Benzoic acid, 4-[[(2R)-2-(hydroxymethyl)-1-pyrrolidinyl]methyl]-
NameBenzoic acid, 4-[[(2R)-2-(hydroxymethyl)-1-pyrrolidinyl]methyl]-
1Identification
【Name】
Benzoic acid, 4-[[(2R)-2-(hydroxymethyl)-1-pyrrolidinyl]methyl]-
【CAS】
【MDL】
【English Synonyms】
【Formula】
C13H17NO3
【MolWeight】
235.279
【Inchi】
InChI=1S/C13H17NO3/c15-9-12-2-1-7-14(12)8-10-3-5-11(6-4-10)13(16)17/h3-6,12,15H,1-2,7-9H2,(H,16,17)/t12-/m1/s1
【InChIKey】
InChIKey=AALRBSXNQVXMFQ-GFCCVEGCSA-N
【SMILES】
OC[C@@H]1N(CCC1)CC1=CC=C(C(=O)O)C=C1
【MOL File】
Benzoic acid, 4-[[(2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
Benzoic acid, 4-[[(2R)-2-(hydroxymethyl)-1-pyrrolidinyl]methyl]-.cml