COMPOUND: C15052
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Entry
C15052 Compound
Name
7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin;
7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one
Formula
C17H14O4
Exact mass
282.0892
Mol weight
282.2907
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396049
ChEBI:
79572
NIKKAJI:
J2.791.773I
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KCF data
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ATOM 21
1 C8y C 17.4447 -15.0005
2 C8x C 17.4447 -16.4022
3 C8x C 18.6586 -17.1031
4 C8y C 19.8727 -16.4022
5 C8y C 19.8727 -15.0005
6 C8x C 18.6586 -14.2996
7 C8y C 21.0866 -17.1031
8 C8y C 22.3005 -16.4022
9 C8y C 22.3005 -15.0005
10 O7x O 21.0866 -14.2996
11 C8y C 23.4997 -17.0946
12 C8x C 23.4997 -18.5046
13 C8x C 24.7137 -19.2055
14 C8y C 25.9276 -18.5046
15 C8x C 25.9276 -17.0946
16 C8x C 24.7136 -16.3937
17 C1a C 21.0866 -18.5049
18 O6a O 23.4997 -14.3081
19 O1a O 16.2307 -14.2996
20 O2a O 27.1401 -19.2046
21 C1a C 28.3361 -18.5139
BOND 23
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 1
11 5 10 1
12 8 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 11 16 1
19 7 17 1
20 9 18 2
21 1 19 1
22 14 20 1
23 20 21 1
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