COMPOUND: C14719
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Entry
C14719 Compound
Name
Methallenestrilphenol;
N-3-(6-Hydroxy-2-naphthyl)-2,2-dimethylpentanoic acid;
alpha,alpha-Dimethyl-beta-ethylallenolic acid;
beta-Ethyl-6-hydroxy-alpha,alpha-dimethyl-2-naphthalenepropanoic acid
Formula
C17H20O3
Exact mass
272.1412
Mol weight
272.3389
Structure
Mol file
KCF file
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Other DBs
CAS:
15372-37-9
PubChem:
17395718
ChEBI:
34865
NIKKAJI:
J156.566D
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KCF data
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ATOM 20
1 C8y C 24.6400 -21.1400
2 C8y C 24.6400 -19.7400
3 C8x C 23.4500 -21.8400
4 C8x C 25.9000 -21.8400
5 C8x C 23.4500 -18.9700
6 C8x C 25.9000 -18.9700
7 C8y C 22.2600 -21.1400
8 C8x C 27.1600 -21.1400
9 C8x C 22.2600 -19.7400
10 C8y C 27.1600 -19.7400
11 C1c C 28.3500 -18.9700
12 O1a O 21.0000 -21.8400
13 C1d C 29.6100 -19.7400
14 C1b C 28.3500 -17.5700
15 C1a C 27.1600 -16.8700
16 C6a C 30.8000 -18.9700
17 O6a O 31.9900 -19.7400
18 O6a O 30.8000 -17.5700
19 C1a C 28.9100 -20.7200
20 C1a C 30.3100 -20.7200
BOND 21
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 4 8 2
8 5 9 2
9 6 10 2
10 7 9 1
11 8 10 1
12 10 11 1
13 7 12 1
14 11 13 1
15 11 14 1
16 14 15 1
17 13 16 1
18 16 17 1
19 16 18 2
20 13 19 1
21 13 20 1
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