COMPOUND: C14294
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Entry
C14294 Compound
Name
Diphenolic acid;
4,4-Bis(4-hydroxyphenyl)pentanoic acid
Formula
C17H18O4
Exact mass
286.1205
Mol weight
286.3224
Structure
Mol file
KCF file
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Other DBs
CAS:
126-00-1
PubChem:
17395294
ChEBI:
34721
NIKKAJI:
J151.237D
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KCF data
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ATOM 21
1 C8x C 24.3633 -20.9110
2 C8y C 24.3555 -22.3078
3 C8x C 25.5641 -23.0132
4 C8x C 26.7735 -22.3217
5 C8y C 26.7114 -20.9249
6 C8x C 25.5801 -20.2196
7 O1a O 23.1421 -22.9999
8 C1d C 27.9957 -20.2345
9 C8y C 29.2010 -20.9406
10 C1a C 26.9172 -19.3907
11 C1b C 29.1971 -19.4539
12 C8x C 29.1879 -22.3309
13 C8x C 30.3928 -23.0371
14 C8y C 31.6071 -22.3466
15 C8x C 31.6161 -20.9498
16 C8x C 30.4109 -20.2437
17 O1a O 32.8202 -23.0574
18 C1b C 29.1590 -18.1096
19 C6a C 30.4542 -17.4386
20 O6a O 31.6585 -18.1710
21 O6a O 30.4159 -16.0142
BOND 22
1 2 3 1
2 8 9 1
3 3 4 2
4 8 10 1
5 4 5 1
6 8 11 1
7 5 6 2
8 6 1 1
9 2 7 1
10 1 2 2
11 9 12 2
12 12 13 1
13 13 14 2
14 14 15 1
15 15 16 2
16 16 9 1
17 5 8 1
18 14 17 1
19 11 18 1
20 18 19 1
21 19 20 1
22 19 21 2
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