54278-11-4
3-(2,4-DIMETHYL-5-CARBOXY-1H-PYRROLE-3-YL)PROPANOIC ACID
Name3-(2,4-DIMETHYL-5-CARBOXY-1H-PYRROLE-3-YL)PROPANOIC ACID
1Identification
【Name】
3-(2,4-DIMETHYL-5-CARBOXY-1H-PYRROLE-3-YL)PROPANOIC ACID
【CAS】
【MDL】
MFCD03788448
【English Synonyms】
【Formula】
C10 H13 N O4
【MolWeight】
211.216
【Inchi】
InChI=1S/C10H13NO4/c1-5-7(3-4-8(12)13)6(2)11-9(5)10(14)15/h11H,3-4H2,1-2H3,(H,12,13)(H,14,15)
【InChIKey】
InChIKey=ZFENDBDQFFFJTK-UHFFFAOYSA-N
【SMILES】
Cc1c(c([nH]c1C(=O)O)C)CCC(=O)O
【MOL File】
3-(2,4-DIMETHYL-5-CA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(2,4-DIMETHYL-5-CARBOXY-1H-PYRROLE-3-YL)PROPANOIC ACID.cml