COMPOUND: C11116
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Entry
C11116 Compound
Name
1-Methylparabanic acid;
Imidazolidinetrione, methyl-
Formula
C4H4N2O3
Exact mass
128.0222
Mol weight
128.0862
Structure
Mol file
KCF file
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CAS:
3659-97-0
PubChem:
13298
ChEBI:
6886
NIKKAJI:
J284.219J
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KCF data
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ATOM 9
1 C5x C 26.8274 -18.6665
2 N1x N 27.9692 -17.8516
3 N1y N 28.6419 -20.0232
4 C5x C 27.2419 -20.0034
5 O5x O 30.4382 -18.2846
6 C5x C 29.0081 -18.8090
7 O5x O 25.5756 -18.0233
8 O5x O 26.5372 -21.2025
9 C1a C 29.7025 -21.1454
BOND 9
1 6 5 2
2 1 2 1
3 2 6 1
4 6 3 1
5 1 7 2
6 3 4 1
7 4 8 2
8 4 1 1
9 3 9 1
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