COMPOUND: C12245
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Entry
C12245 Compound
Name
Methyl5-(but-3-en-1-yl)amino-1,3,4-oxadiazole-2-carboxylate
Formula
C8H11N3O3
Exact mass
197.08
Mol weight
197.1912
Structure
Mol file
KCF file
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Other DBs
PubChem:
14390
ChEBI:
31833
NIKKAJI:
J1.811.909I
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KCF data
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ATOM 14
1 O2x O 26.8367 -19.1075
2 C8y C 25.6969 -19.9242
3 N5x N 26.1235 -21.2610
4 N5x N 27.5270 -21.2658
5 C8y C 27.9631 -19.9320
6 N1b N 29.1727 -19.2282
7 C1b C 30.3831 -19.9218
8 C1b C 31.5936 -19.2210
9 C2b C 32.8040 -19.9147
10 C2a C 34.0145 -19.2139
11 C7a C 24.4795 -19.2210
12 O7a O 23.2690 -19.9218
13 C1a C 22.0586 -19.2210
14 O6a O 24.4788 -17.8194
BOND 14
1 6 7 1
2 1 2 1
3 7 8 1
4 3 4 1
5 8 9 1
6 4 5 2
7 9 10 2
8 5 1 1
9 2 11 1
10 11 12 1
11 5 6 1
12 12 13 1
13 2 3 2
14 11 14 2
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