KEGG   COMPOUND: C03007
Entry
C03007                      Compound                               
Name
1-(1-Oxopropyl)-1H-imidazole;
N-Propanoylimidazole;
N-Propionylimidazole
Formula
C6H8N2O
Exact mass
124.0637
Mol weight
124.1405
Structure
Other DBs
CAS: 4122-52-5
PubChem: 5915
ChEBI: 27449
NIKKAJI: J224.932D
LinkDB
KCF data

ATOM        9
            1   N5x N    17.9153  -17.4566
            2   C8x C    18.3034  -18.8018
            3   C8x C    19.7026  -18.8484
            4   N4y N    20.1794  -17.5321
            5   C8x C    19.0748  -16.6719
            6   C5a C    21.3724  -16.8000
            7   C1b C    22.5849  -17.5000
            8   C1a C    23.7973  -16.8000
            9   O5a O    21.3537  -15.4000
BOND        9
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     1   5 2
            6     4   6 1
            7     6   7 1
            8     7   8 1
            9     6   9 2

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