58298-68-3
METHYL 5-FORMYL-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXYLATE
NameMETHYL 5-FORMYL-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXYLATE
1Identification
【Name】
METHYL 5-FORMYL-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXYLATE
【CAS】
【MDL】
MFCD09038067
【English Synonyms】
【Formula】
C9 H11 N O3
【MolWeight】
181.19
【Inchi】
InChI=1S/C9H11NO3/c1-5-7(4-11)10-6(2)8(5)9(12)13-3/h4,10H,1-3H3
【InChIKey】
InChIKey=ULZHXHJRMZVHSB-UHFFFAOYSA-N
【SMILES】
Cc1c([nH]c(c1C(=O)OC)C)C=O
【MOL File】
METHYL 5-FORMYL-2,4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 5-FORMYL-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXYLATE.cml