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85444-81-1
(3-METHYL-4-NITROPHENOXY)ACETIC ACID
Name
(3-METHYL-4-NITROPHENOXY)ACETIC ACID
Formula
C9 H9 N O5
MolWeight
211.172
1Identification
【Name】
(3-METHYL-4-NITROPHENOXY)ACETIC ACID
【CAS】
【MDL】
MFCD03422206
【English Synonyms】
【Formula】
C9 H9 N O5
【MolWeight】
211.172
【Inchi】
InChI=1S/C9H9NO5/c1-6-4-7(15-5-9(11)12)2-3-8(6)10(13)14/h2-4H,5H2,1H3,(H,11,12)
【InChIKey】
InChIKey=ZCGFXEDUXQCHRZ-UHFFFAOYSA-N
【SMILES】
Cc1cc(ccc1[N+](=O)[O-])OCC(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(3-METHYL-4-NITROPHENOXY)ACETIC ACID.cml
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