COMPOUND: C12346
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Entry
C12346 Compound
Name
1,3-Dimethyl-8-isoquinolinol
Formula
C11H11NO
Exact mass
173.0841
Mol weight
173.2111
Structure
Mol file
KCF file
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Other DBs
PubChem:
582736
ChEBI:
31040
NIKKAJI:
J2.781.926E
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KCF data
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ATOM 13
1 C8x C 24.9716 -18.1547
2 C8x C 24.9716 -19.5552
3 C8y C 26.1874 -20.2555
4 C8x C 26.1874 -17.4545
5 C8y C 27.3961 -18.1547
6 C8y C 27.3902 -19.5552
7 C8y C 28.6001 -20.2608
8 N5x N 29.8159 -19.5656
9 C8y C 29.8220 -18.1651
10 C8x C 28.6121 -17.4597
11 O1a O 26.1908 -21.6560
12 C1a C 28.6641 -21.6613
13 C1a C 31.0378 -17.4701
BOND 14
1 3 6 2
2 5 4 2
3 4 1 1
4 5 6 1
5 6 7 1
6 7 8 2
7 8 9 1
8 9 10 2
9 10 5 1
10 3 11 1
11 1 2 2
12 7 12 1
13 2 3 1
14 9 13 1
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