KEGG   COMPOUND: C17386
Entry
C17386                      Compound                               
Name
2-Methoxy-4-nitrophenol;
4-Nitroguaiacol
Formula
C7H7NO4
Exact mass
169.0375
Mol weight
169.1348
Structure
Brite
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Mononitroguaiacol
    C17386  4-Nitroguaiacol
Other DBs
CAS: 3251-56-7
PubChem: 96023739
ChEBI: 81050
PDB-CCD: F0M[PDBj]
NIKKAJI: J50.149B
LinkDB
KCF data

ATOM        12
            1   C8y C    20.8251  -17.2582
            2   N2b N    20.8251  -18.6557 #+
            3   C8x C    22.0129  -16.5595
            4   C8x C    19.6372  -16.5595
            5   O3a O    19.6372  -19.3544
            6   O3a O    22.0129  -19.3544 #-
            7   C8y C    22.0129  -15.1622
            8   C8x C    19.6372  -15.1622
            9   C8y C    20.8251  -14.4635
            10  O1a O    20.8251  -13.0662
            11  O2a O    23.2258  -14.4684
            12  C1a C    24.5654  -15.2377
BOND        12
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     7   9 2
            9     9  10 1
            10    8   9 1
            11    7  11 1
            12   11  12 1

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