COMPOUND: C04274
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Entry
C04274 Compound
Name
1,2-Epoxy-3-(p-Nitrophenoxy)propane;
EPNP
Formula
C9H9NO4
Exact mass
195.0532
Mol weight
195.1721
Structure
Mol file
KCF file
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CAS:
5255-75-4
PubChem:
6937
ChEBI:
508
NIKKAJI:
J39.054B
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KCF data
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ATOM 14
1 C8y C 24.4638 -16.4034
2 C8x C 24.4232 -15.0404
3 C8x C 25.6805 -17.0424
4 N2b N 23.3171 -17.1161 #+
5 C8x C 25.5821 -14.3125
6 C8x C 26.8395 -16.3145
7 O3a O 23.2771 -18.8824
8 O3a O 21.5777 -16.3279 #-
9 C8y C 26.7818 -14.9476
10 O2a O 27.9139 -14.2366
11 C1b C 29.0941 -14.8631
12 C1y C 30.2807 -14.1173
13 O2x O 30.9877 -12.9089
14 C1x C 31.6806 -14.1253
BOND 15
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 2
6 4 7 2
7 4 8 1
8 5 9 2
9 6 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 12 14 1
15 13 14 1
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