74550-88-2
2-PROPENOIC ACID, 3-(1-METHYL-5-NITRO-1H-IMIDAZOL-2-YL)-2-PHENOXY-
Name2-PROPENOIC ACID, 3-(1-METHYL-5-NITRO-1H-IMIDAZOL-2-YL)-2-PHENOXY-
1Identification
【Name】
2-PROPENOIC ACID, 3-(1-METHYL-5-NITRO-1H-IMIDAZOL-2-YL)-2-PHENOXY-
【CAS】
【MDL】
MFCD01696301
【English Synonyms】
【Formula】
C13 H11 N3 O5
【MolWeight】
289.246
【Inchi】
InChI=1S/C13H11N3O5/c1-15-11(14-8-12(15)16(19)20)7-10(13(17)18)21-9-5-3-2-4-6-9/h2-8H,1H3,(H,17,18)/b10-7+
【InChIKey】
InChIKey=SZFKMKKCZHBKOU-JXMROGBWSA-N
【SMILES】
Cn1c(cnc1/C=C(\C(=O)O)/Oc2ccccc2)[N+](=O)[O-]
【MOL File】
2-PROPENOIC ACID, 3-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-PROPENOIC ACID, 3-(1-METHYL-5-NITRO-1H-IMIDAZOL-2-YL)-2-PHENOXY-.cml