COMPOUND: C14339
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Entry
C14339 Compound
Name
3,3'-Dimethylbisphenol A;
2,2-Bis(4-hydroxy-3-methylphenyl)propane
Formula
C17H20O2
Exact mass
256.1463
Mol weight
256.3395
Structure
Mol file
KCF file
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Other DBs
CAS:
79-97-0
PubChem:
17395339
ChEBI:
34321
NIKKAJI:
J10.979G
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KCF data
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ATOM 19
1 C8x C 25.1723 -15.9144
2 C8y C 25.2344 -17.3156
3 C8y C 26.4468 -18.0231
4 C8x C 27.6601 -17.3295
5 C8y C 27.6680 -15.9283
6 C8x C 26.4629 -15.2209
7 O1a O 24.0173 -18.0098
8 C1d C 28.8860 -15.2358
9 C8y C 30.0249 -15.9441
10 C1a C 27.6638 -14.5298
11 C1a C 30.0912 -14.5229
12 C8x C 30.0120 -17.3387
13 C8x C 31.2906 -18.0472
14 C8y C 32.5788 -17.3545
15 C8y C 32.5178 -15.9533
16 C8x C 31.3088 -15.2450
17 O1a O 33.7257 -18.0675
18 C1a C 33.7164 -15.2717
19 C1a C 26.4411 -19.4098
BOND 20
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 15 18 1
20 3 19 1
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