COMPOUND: C13629
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Entry
C13629 Compound
Name
1,2-Bis(4-hydroxyphenyl)-2-propanol
Formula
C15H16O3
Exact mass
244.1099
Mol weight
244.2857
Structure
Mol file
KCF file
DB search
Reaction
R06883
R06885
Pathway
map00363
Bisphenol degradation
map01100
Metabolic pathways
map01120
Microbial metabolism in diverse environments
Enzyme
1.14.-.- 4.2.1.-
Other DBs
CAS:
154928-56-0
PubChem:
586246
ChEBI:
31035
NIKKAJI:
J1.608.543J
LinkDB
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KCF data
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ATOM 18
1 C1b C 28.2536 -16.5873
2 C8x C 24.6076 -17.2638
3 C8y C 24.6696 -18.6644
4 C8x C 25.8124 -19.3752
5 C8x C 27.0263 -18.6782
6 C8y C 27.0343 -17.2776
7 C8x C 25.8284 -16.5738
8 O1a O 23.3820 -19.3620
9 C1d C 29.4562 -17.2915
10 C8y C 30.6746 -16.6020
11 C8x C 31.8772 -17.3087
12 C8x C 33.0954 -16.6191
13 C8y C 33.1036 -15.2185
14 C8x C 31.8939 -14.5073
15 C8x C 30.6758 -15.2038
16 O1a O 34.3220 -14.5218
17 O1a O 28.2408 -17.9842
18 C1a C 30.6621 -17.9912
BOND 19
1 1 9 1
2 3 4 1
3 9 10 1
4 4 5 2
5 5 6 1
6 6 7 2
7 7 2 1
8 6 1 1
9 10 11 2
10 11 12 1
11 12 13 2
12 13 14 1
13 14 15 2
14 15 10 1
15 13 16 1
16 3 8 1
17 9 17 1
18 2 3 2
19 9 18 1
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