18159-23-4
1-(PHENYLMETHYL)-1H-PYRROLE-2-CARBOXYLIC ACID METHYL ESTER
Name1-(PHENYLMETHYL)-1H-PYRROLE-2-CARBOXYLIC ACID METHYL ESTER
1Identification
【Name】
1-(PHENYLMETHYL)-1H-PYRROLE-2-CARBOXYLIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD17015422
【English Synonyms】
【Formula】
C13 H13 N O2
【MolWeight】
215.251
【Inchi】
InChI=1S/C13H13NO2/c1-16-13(15)12-8-5-9-14(12)10-11-6-3-2-4-7-11/h2-9H,10H2,1H3
【InChIKey】
InChIKey=ASHPSTQAODFMLF-UHFFFAOYSA-N
【SMILES】
COC(=O)c1cccn1Cc2ccccc2
【MOL File】
1-(PHENYLMETHYL)-1H-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(PHENYLMETHYL)-1H-PYRROLE-2-CARBOXYLIC ACID METHYL ESTER.cml