KEGG   COMPOUND: C14414
Entry
C14414                      Compound                               
Name
2-Nitrofuran;
AI3-23606
Formula
C4H3NO3
Exact mass
113.0113
Mol weight
113.0715
Structure
Other DBs
CAS: 609-39-2
PubChem: 17395414
ChEBI: 34890
NIKKAJI: J489H
LinkDB
KCF data

ATOM        8
            1   C8x C    30.0390  -18.0848
            2   O2x O    29.6202  -19.4110
            3   C8x C    28.9222  -17.2471
            4   C8y C    28.2242  -19.4110
            5   C8x C    27.8054  -18.0848
            6   N2b N    27.3866  -20.5976 #+
            7   O3a O    25.9906  -20.4580
            8   O3a O    27.9450  -21.8540 #-
BOND        8
            1     1   2 1
            2     1   3 2
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     6   7 2
            7     6   8 1
            8     4   5 2

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