730950-24-0
1-ISOBUTYL-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
Name1-ISOBUTYL-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
1Identification
【Name】
1-ISOBUTYL-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
【CAS】
【MDL】
MFCD04621551
【English Synonyms】
【Formula】
C11 H17 N O
【MolWeight】
179.261
【Inchi】
InChI=1S/C11H17NO/c1-8(2)6-12-9(3)5-11(7-13)10(12)4/h5,7-8H,6H2,1-4H3
【InChIKey】
InChIKey=WTOBFOKEYMYMIF-UHFFFAOYSA-N
【SMILES】
Cc1cc(c(n1CC(C)C)C)C=O
【MOL File】
1-ISOBUTYL-2,5-DIMET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-ISOBUTYL-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE.cml