COMPOUND: C14317
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Entry
C14317 Compound
Name
Benz[a]anthracene;
1,2-Benzanthracene
Formula
C18H12
Exact mass
228.0939
Mol weight
228.2879
Structure
Mol file
KCF file
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Other DBs
CAS:
56-55-3
PubChem:
17395317
ChEBI:
51348
NIKKAJI:
J2.320E
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KCF data
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ATOM 18
1 C8x C 24.5914 -17.2877
2 C8x C 24.5914 -18.6897
3 C8x C 25.8085 -19.3906
4 C8x C 25.8085 -16.5866
5 C8y C 27.0184 -17.2877
6 C8y C 27.0125 -18.6897
7 C8x C 28.2237 -19.3958
8 C8x C 28.2358 -16.5919
9 C8y C 29.4470 -17.2980
10 C8y C 29.5042 -18.6965
11 C8x C 30.6389 -19.4064
12 C8x C 31.8562 -18.7184
13 C8y C 31.8689 -17.3199
14 C8y C 30.6642 -16.6099
15 C8x C 33.0876 -16.6307
16 C8x C 33.1001 -15.2306
17 C8x C 31.8955 -14.5207
18 C8x C 30.6767 -15.2098
BOND 21
1 9 8 2
2 8 5 1
3 5 4 2
4 4 1 1
5 1 2 2
6 2 3 1
7 3 6 2
8 9 10 1
9 10 11 1
10 11 12 2
11 12 13 1
12 13 14 2
13 14 9 1
14 5 6 1
15 6 7 1
16 7 10 2
17 13 15 1
18 15 16 2
19 16 17 1
20 17 18 2
21 14 18 1
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