103440-98-8
2-NITRO-4-ETHOXYBEZOIC ACID
Name
2-NITRO-4-ETHOXYBEZOIC ACID
Formula
C9 H9 N O5
MolWeight
211.172
1Identification
【Name】
2-NITRO-4-ETHOXYBEZOIC ACID
【CAS】
【MDL】
MFCD09909646
【English Synonyms】
【Formula】
C9 H9 N O5
【MolWeight】
211.172
【Inchi】
InChI=1S/C9H9NO5/c1-2-15-6-3-4-7(9(11)12)8(5-6)10(13)14/h3-5H,2H2,1H3,(H,11,12)
【InChIKey】
InChIKey=ASIBMPOSLZTHOI-UHFFFAOYSA-N
【SMILES】
CCOc1ccc(c(c1)[N+](=O)[O-])C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-NITRO-4-ETHOXYBEZOIC ACID.cml
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