COMPOUND: C12345
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Entry
C12345 Compound
Name
1,3-Dimethyl-6,8-isoquinolinediol
Formula
C11H11NO2
Exact mass
189.0790
Mol weight
189.21
Structure
Mol file
KCF file
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Other DBs
PubChem:
582735
ChEBI:
31039
NIKKAJI:
J2.781.925G
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KCF data
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ATOM 14
1 C8y C 25.5969 -18.1624
2 C8x C 25.5969 -19.5629
3 C8y C 26.8127 -20.2631
4 C8x C 26.8127 -17.4622
5 C8y C 28.0214 -18.1624
6 C8y C 28.0154 -19.5629
7 C8y C 29.2253 -20.2682
8 N5x N 30.4411 -19.5732
9 C8y C 30.4472 -18.1728
10 C8x C 29.2373 -17.4672
11 O1a O 24.3845 -17.4615
12 O1a O 26.8161 -21.6636
13 C1a C 29.2893 -21.6687
14 C1a C 31.6630 -17.4776
BOND 15
1 5 4 2
2 4 1 1
3 5 6 1
4 6 7 1
5 7 8 2
6 8 9 1
7 9 10 2
8 10 5 1
9 1 11 1
10 1 2 2
11 3 12 1
12 2 3 1
13 7 13 1
14 3 6 2
15 9 14 1
ยป Japanese version
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