COMPOUND: C15208
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Entry
C15208 Compound
Name
Bisphenol A bis(2-hydroxypropyl) ether;
Bisphenol A propoxylate;
2,2-Bis[4-(2-hydroxy-2-methylethoxy)phenyl]propane
Formula
C21H28O4
Exact mass
344.1988
Mol weight
344.4446
Structure
Mol file
KCF file
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Other DBs
CAS:
116-37-0
PubChem:
17396205
ChEBI:
79721
NIKKAJI:
J39.711C
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KCF data
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ATOM 25
1 C8x C 22.8069 -19.2968
2 C8y C 22.8069 -20.6951
3 C8x C 24.0178 -21.3943
4 C8x C 25.2289 -20.6951
5 C8y C 25.2289 -19.2968
6 C8x C 24.0178 -18.5977
7 C1d C 26.4585 -18.5867
8 C8y C 27.6622 -19.2815
9 C8x C 27.6626 -20.6947
10 C8x C 28.8738 -21.3936
11 C8y C 30.0846 -20.6940
12 C8x C 30.0841 -19.2807
13 C8x C 28.8730 -18.5820
14 O2a O 31.3201 -21.4065
15 O2a O 21.5938 -21.3955
16 C1a C 25.2460 -17.8867
17 C1a C 27.6709 -17.8867
18 C1b C 20.3673 -20.6869
19 C1b C 32.5037 -20.7222
20 C1c C 19.1424 -21.3931
21 C1c C 33.6977 -21.4108
22 C1a C 17.9184 -20.6851
23 C1a C 34.8850 -20.7245
24 O1a O 19.1421 -22.8196
25 O1a O 33.6986 -22.8197
BOND 26
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 11 14 1
16 2 15 1
17 7 16 1
18 7 17 1
19 15 18 1
20 14 19 1
21 18 20 1
22 19 21 1
23 20 22 1
24 21 23 1
25 20 24 1
26 21 25 1
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