COMPOUND: C13633
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Entry
C13633 Compound
Name
2,2-Bis(4-hydroxyphenyl)-propanoic acid
Formula
C15H14O4
Exact mass
258.0892
Mol weight
258.2693
Structure
Mol file
KCF file
DB search
Reaction
R06887
Pathway
map00363
Bisphenol degradation
map01120
Microbial metabolism in diverse environments
Other DBs
CAS:
92549-67-2
PubChem:
586249
ChEBI:
19287
NIKKAJI:
J805.272G
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KCF data
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ATOM 19
1 C8x C 25.2769 -17.5712
2 C8y C 25.2689 -18.9420
3 C8x C 26.4591 -19.6378
4 C8x C 27.6433 -18.9559
5 C8y C 27.6512 -17.5851
6 C8x C 26.4751 -16.8962
7 O1a O 24.0879 -19.6247
8 C1d C 28.8470 -16.9111
9 C8y C 30.0339 -17.6008
10 C1a C 27.6471 -16.2170
11 C6a C 29.8052 -15.8584
12 C8x C 30.0208 -18.9650
13 C8x C 31.2006 -19.6616
14 C8y C 32.3965 -18.9807
15 C8x C 32.4054 -17.6099
16 O1a O 33.5692 -19.6773
17 C8x C 31.2217 -16.8861
18 O6a O 29.8050 -14.2417
19 O6a O 31.4221 -15.8588
BOND 20
1 3 4 2
2 8 10 1
3 4 5 1
4 8 11 1
5 5 6 2
6 6 1 1
7 2 7 1
8 9 12 2
9 12 13 1
10 13 14 2
11 14 15 1
12 15 17 2
13 17 9 1
14 1 2 2
15 14 16 1
16 5 8 1
17 2 3 1
18 11 18 2
19 8 9 1
20 11 19 1
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