52513-48-1
2-(5-FORMYL-2,4-DIMETHYL-1H-PYRROL-3-YL)ACETIC ACID
Name2-(5-FORMYL-2,4-DIMETHYL-1H-PYRROL-3-YL)ACETIC ACID
1Identification
【Name】
2-(5-FORMYL-2,4-DIMETHYL-1H-PYRROL-3-YL)ACETIC ACID
【CAS】
【MDL】
MFCD10000699
【English Synonyms】
【Formula】
C9 H11 N O3
【MolWeight】
181.19
【Inchi】
InChI=1S/C9H11NO3/c1-5-7(3-9(12)13)6(2)10-8(5)4-11/h4,10H,3H2,1-2H3,(H,12,13)
【InChIKey】
InChIKey=WAFGISWUPUETKX-UHFFFAOYSA-N
【SMILES】
Cc1c(c([nH]c1C=O)C)CC(=O)O
【MOL File】
2-(5-FORMYL-2,4-DIME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(5-FORMYL-2,4-DIMETHYL-1H-PYRROL-3-YL)ACETIC ACID.cml