874571-07-0
4-PENTENOIC ACID, 5-(4-METHYL-1H-IMIDAZOL-5-YL)-
Name4-PENTENOIC ACID, 5-(4-METHYL-1H-IMIDAZOL-5-YL)-
1Identification
【Name】
4-PENTENOIC ACID, 5-(4-METHYL-1H-IMIDAZOL-5-YL)-
【CAS】
【MDL】
MFCD16878809
【English Synonyms】
【Formula】
C9 H12 N2 O2
【MolWeight】
180.206
【Inchi】
InChI=1S/C9H12N2O2/c1-7-8(11-6-10-7)4-2-3-5-9(12)13/h2,4,6H,3,5H2,1H3,(H,10,11)(H,12,13)/b4-2+
【InChIKey】
InChIKey=XKGCVGXONLQESG-DUXPYHPUSA-N
【SMILES】
Cc1c([nH]cn1)/C=C/CCC(=O)O
【MOL File】
4-PENTENOIC ACID, 5-….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
4-PENTENOIC ACID, 5-(4-METHYL-1H-IMIDAZOL-5-YL)-.cml