COMPOUND: C04514
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Entry
C04514 Compound
Name
(1S,2S)-1,2-Dihydronaphthalene-1,2-diol;
trans-1,2-Dihydronaphthalene-1,2-diol
Formula
C10H10O2
Exact mass
162.0681
Mol weight
162.1852
Structure
Mol file
KCF file
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PubChem:
7127
ChEBI:
28809
NIKKAJI:
J81.529B
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KCF data
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ATOM 12
1 C8y C 17.3726 -17.2136
2 C8y C 17.3726 -18.6138
3 C1y C 18.5883 -16.5008
4 C8x C 16.1570 -16.5198
5 C2x C 18.5947 -19.3203
6 C8x C 16.1570 -19.3203
7 C1y C 19.8103 -17.2071
8 O1a O 18.6520 -15.3296
9 C8x C 14.9604 -17.2136
10 C2x C 19.7913 -18.6647
11 C8x C 14.9604 -18.6138
12 O1a O 21.0132 -16.5198
BOND 13
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1 #Down
8 4 9 2
9 5 10 2
10 6 11 2
11 7 12 1 #Up
12 7 10 1
13 9 11 1
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