COMPOUND: C10331
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Entry
C10331 Compound
Name
2,6-Dimethoxybenzoquinone;
2,6-Dimetoxy-p-benzoquinone
Formula
C8H8O4
Exact mass
168.0423
Mol weight
168.1467
Structure
Mol file
KCF file
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CAS:
530-55-2
PubChem:
12517
KNApSAcK:
C00000258
PDB-CCD:
KIA
[
PDBj
]
3DMET:
B03748
NIKKAJI:
J6.704K
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KCF data
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ATOM 12
1 C2y C 35.7912 -25.9648
2 C5x C 34.5800 -25.2717
3 C2x C 35.7855 -27.3683
4 O2a O 37.0084 -25.2717
5 C2y C 33.3629 -25.9648
6 O5x O 34.5857 -23.8683
7 C5x C 34.5800 -28.0728
8 C1a C 38.2197 -25.9765
9 C2x C 33.3629 -27.3683
10 O2a O 32.1516 -25.2717
11 O5x O 34.5857 -29.4705
12 C1a C 30.9403 -25.9648
BOND 12
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 4 8 1
8 5 9 2
9 5 10 1
10 7 11 2
11 10 12 1
12 7 9 1
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