COMPOUND: C14435
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Entry
C14435 Compound
Name
Benzo[e]pyrene;
1,2-Benzpyrene
Formula
C20H12
Exact mass
252.0939
Mol weight
252.3093
Structure
Mol file
KCF file
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Other DBs
CAS:
192-97-2
PubChem:
17395435
ChEBI:
34567
NIKKAJI:
J2.971H
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KCF data
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ATOM 20
1 C8x C 25.8300 -18.3400
2 C8x C 25.8300 -19.7400
3 C8x C 27.0424 -20.4400
4 C8y C 28.2549 -19.7400
5 C8y C 28.2549 -18.3400
6 C8y C 27.0424 -17.6400
7 C8y C 29.4673 -17.6400
8 C8y C 29.4673 -16.2400
9 C8y C 28.2549 -15.5400
10 C8y C 27.0424 -16.2400
11 C8x C 29.4673 -20.4400
12 C8x C 30.6797 -19.7400
13 C8y C 30.6797 -18.3400
14 C8x C 31.8922 -17.6400
15 C8x C 31.8922 -16.2400
16 C8x C 30.6797 -15.5400
17 C8x C 28.2549 -14.1400
18 C8x C 27.0425 -13.4400
19 C8x C 25.8300 -14.1400
20 C8x C 25.8300 -15.5400
BOND 24
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 5 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 6 10 2
12 4 11 1
13 11 12 2
14 12 13 1
15 7 13 1
16 13 14 2
17 14 15 1
18 15 16 2
19 8 16 1
20 9 17 1
21 17 18 2
22 18 19 1
23 19 20 2
24 10 20 1
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