COMPOUND: C15051
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Entry
C15051 Compound
Name
7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one;
7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin
Formula
C19H18O4
Exact mass
310.1205
Mol weight
310.3438
Structure
Mol file
KCF file
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Other DBs
CAS:
5219-18-1
PubChem:
17396048
ChEBI:
79571
NIKKAJI:
J2.791.772K
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KCF data
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ATOM 23
1 C8y C 21.6111 -13.0799
2 C8y C 21.6111 -14.4786
3 C8y C 22.8224 -15.1781
4 C8y C 24.0340 -14.4786
5 C8y C 24.0340 -13.0799
6 O7x O 22.8224 -12.3804
7 C8x C 20.3997 -12.3804
8 C8y C 19.1881 -13.0799
9 C8x C 19.1881 -14.4786
10 C8x C 20.3997 -15.1781
11 O1a O 17.9848 -12.3853
12 C8y C 25.2478 -15.1795
13 C1b C 22.8222 -16.6011
14 C8x C 25.2483 -16.6007
15 C8x C 26.4617 -17.3007
16 C8y C 27.6747 -16.5998
17 C8x C 27.6742 -15.1787
18 C8x C 26.4607 -14.4786
19 O2a O 28.8814 -17.2960
20 C1a C 28.8820 -18.7021
21 C1b C 21.6128 -17.2991
22 C1a C 21.6127 -18.6899
23 O6a O 25.2240 -12.3928
BOND 25
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 1 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 2 10 1
12 8 11 1
13 4 12 1
14 3 13 1
15 12 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 12 18 1
21 16 19 1
22 19 20 1
23 13 21 1
24 21 22 1
25 5 23 2
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