58954-23-7
2-PROPYL-1H-IMIDAZOLE-4,5-DICARBOXY ACID
Name
2-PROPYL-1H-IMIDAZOLE-4,5-DICARBOXY ACID
Formula
C8 H10 N2 O4
MolWeight
198.177
1Identification
【Name】
2-PROPYL-1H-IMIDAZOLE-4,5-DICARBOXY ACID
【CAS】
【MDL】
MFCD02069629
【English Synonyms】
【Formula】
C8 H10 N2 O4
【MolWeight】
198.177
【Inchi】
InChI=1S/C8H10N2O4/c1-2-3-4-9-5(7(11)12)6(10-4)8(13)14/h2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14)
【InChIKey】
InChIKey=BGPZYJSOTDBJMV-UHFFFAOYSA-N
【SMILES】
CCCc1[nH]c(c(n1)C(=O)O)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-PROPYL-1H-IMIDAZOLE-4,5-DICARBOXY ACID.cml
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