KEGG   COMPOUND: C02116
Entry
C02116                      Compound                               
Name
2-Nitropropane
Formula
C3H7NO2
Exact mass
89.0477
Mol weight
89.09
Structure
Other DBs
CAS: 79-46-9
PubChem: 5196
ChEBI: 16037
PDB-CCD: NIS[PDBj]
NIKKAJI: J3.845H
LinkDB
KCF data

ATOM        6
            1   C1c C    18.3162  -15.5343
            2   N2b N    18.3162  -14.2466 #+
            3   C1a C    17.1946  -16.1812
            4   C1a C    19.4320  -16.1812
            5   O3a O    17.0463  -13.3054
            6   O3a O    19.7346  -13.3113 #-
BOND        5
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1

ยป Japanese version

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