COMPOUND: C11319
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Entry
C11319 Compound
Name
3,5-Dinitrosalicylic acid
Formula
C7H4N2O7
Exact mass
228.0019
Mol weight
228.1159
Structure
Mol file
KCF file
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Other DBs
CAS:
609-99-4
PubChem:
13494
ChEBI:
53648
NIKKAJI:
J208.324H
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KCF data
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ATOM 16
1 C8y C 28.1447 -18.4653
2 C8y C 29.3409 -19.2041
3 C8x C 26.8787 -19.2322
4 C6a C 28.1447 -17.1131
5 C8y C 29.3409 -20.6575
6 O1a O 30.6218 -18.4653
7 C8y C 26.8787 -20.6038
8 O6a O 29.3186 -16.3730
9 O6a O 26.9485 -16.4384
10 C8x C 28.0970 -21.3173
11 N2b N 30.4823 -21.3556 #+
12 N2b N 25.6825 -21.2147 #+
13 O3a O 31.9971 -20.6575
14 O3a O 30.4823 -22.7809 #-
15 O3a O 25.6721 -22.5831
16 O3a O 24.4236 -20.5073 #-
BOND 16
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 4 8 1
8 4 9 2
9 5 10 1
10 5 11 1
11 7 12 1
12 11 13 2
13 11 14 1
14 12 15 2
15 12 16 1
16 7 10 2
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