250253-82-8
5-ETHYNYL-3,4-DIMETHYL-1H-PYRROLE-2-CARBALDEHYDE
Name5-ETHYNYL-3,4-DIMETHYL-1H-PYRROLE-2-CARBALDEHYDE
1Identification
【Name】
5-ETHYNYL-3,4-DIMETHYL-1H-PYRROLE-2-CARBALDEHYDE
【CAS】
【MDL】
MFCD11109717
【English Synonyms】
【Formula】
C9 H9 N O
【MolWeight】
147.176
【Inchi】
InChI=1S/C9H9NO/c1-4-8-6(2)7(3)9(5-11)10-8/h1,5,10H,2-3H3
【InChIKey】
InChIKey=NXHUAPUCITTYBZ-UHFFFAOYSA-N
【SMILES】
Cc1c(c([nH]c1C=O)C#C)C
【MOL File】
5-ETHYNYL-3,4-DIMETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
5-ETHYNYL-3,4-DIMETHYL-1H-PYRROLE-2-CARBALDEHYDE.cml