COMPOUND: C03757
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Entry
C03757 Compound
Name
3,4-Dihydroxymandelonitrile
Formula
C8H7NO3
Exact mass
165.0426
Mol weight
165.1461
Structure
Mol file
KCF file
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PubChem:
6516
NIKKAJI:
J2.748.198A
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KCF data
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ATOM 12
1 C8y C 17.7961 -14.0401
2 C8x C 19.0209 -14.7390
3 C8x C 16.5904 -14.7390
4 C1c C 17.7896 -12.6485
5 C8y C 19.0209 -16.1498
6 C8x C 16.5904 -16.1498
7 C3b C 18.9952 -11.9431
8 O1a O 16.5839 -11.9494
9 C8y C 17.7961 -16.8616
10 O1a O 20.2265 -16.8425
11 N3a N 20.2009 -11.2440
12 O1a O 17.7896 -18.2533
BOND 12
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 3 6 1
6 4 7 1
7 4 8 1
8 5 9 1
9 5 10 1
10 7 11 3
11 9 12 1
12 6 9 2
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