50472-09-8
3,6-DIMETHOXY-2-NITRO-BENZOIC ACID
Name
3,6-DIMETHOXY-2-NITRO-BENZOIC ACID
Formula
C9 H9 N O6
MolWeight
227.171
1Identification
【Name】
3,6-DIMETHOXY-2-NITRO-BENZOIC ACID
【CAS】
【MDL】
MFCD06203373
【English Synonyms】
【Formula】
C9 H9 N O6
【MolWeight】
227.171
【Inchi】
InChI=1S/C9H9NO6/c1-15-5-3-4-6(16-2)8(10(13)14)7(5)9(11)12/h3-4H,1-2H3,(H,11,12)
【InChIKey】
InChIKey=FWXKXSMYSALLCF-UHFFFAOYSA-N
【SMILES】
COc1ccc(c(c1C(=O)O)[N+](=O)[O-])OC
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3,6-DIMETHOXY-2-NITRO-BENZOIC ACID.cml
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