KEGG   COMPOUND: C14281
Entry
C14281                      Compound                               
Name
5-Nitrofurfural;
5-Nitro-2-furfural;
5-Nitro-2-furaldehyde
Formula
C5H3NO4
Exact mass
141.0062
Mol weight
141.0816
Structure
Other DBs
CAS: 698-63-5
PubChem: 17395281
ChEBI: 34459
NIKKAJI: J60.118G
LinkDB
KCF data

ATOM        10
            1   C8y C    27.8736  -16.8815
            2   O2x O    29.2745  -16.8815
            3   C8y C    29.7074  -15.5491
            4   C8x C    28.5740  -14.7257
            5   C8x C    27.4407  -15.5491
            6   N2b N    27.0501  -18.0148 #+
            7   O3a O    25.6321  -18.0022
            8   O3a O    27.6719  -19.2489 #-
            9   C4a C    31.0278  -15.1200
            10  O4a O    32.0728  -16.0608
BOND        10
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     1   5 2
            6     1   6 1
            7     6   7 2
            8     6   8 1
            9     3   9 1
            10    9  10 2

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