COMPOUND: C12261
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Entry
C12261 Compound
Name
2,3,4-Trioxycyclopentanone
Formula
C14H26O4Si
Exact mass
286.16
Mol weight
286.4393
Structure
Mol file
KCF file
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Other DBs
PubChem:
14406
ChEBI:
31068
NIKKAJI:
J1.415.765D
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KCF data
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ATOM 19
1 C1y C 27.6381 -20.0339
2 C1x C 28.0616 -18.7406
3 C5x C 26.9577 -17.9376
4 O5x O 26.9577 -16.5768
5 O2a O 28.4366 -21.1357
6 Z Si 29.7962 -21.1334
7 C1d C 31.1570 -21.1334
8 C1a C 31.1501 -19.7726
9 C1a C 29.7893 -22.4942
10 C1a C 29.7893 -19.7726
11 C1a C 32.5392 -21.1383
12 C1a C 32.0404 -22.4487
13 C1y C 26.2773 -20.0339
14 C1y C 25.8492 -18.7439
15 O2x O 24.4901 -18.7525
16 C1z C 24.0784 -20.0478
17 O2x O 25.1829 -20.8397
18 C1a C 23.1606 -21.3602
19 C1a C 22.7585 -19.4802
BOND 20
1 2 3 1
2 6 9 1
3 3 14 1
4 6 10 1
5 7 11 1
6 1 5 1 #Up
7 7 12 1
8 13 1 1
9 5 6 1
10 3 4 2
11 6 7 1
12 13 14 1
13 14 15 1 #Down
14 15 16 1
15 16 17 1
16 13 17 1 #Down
17 1 2 1
18 16 18 1
19 7 8 1
20 16 19 1
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