KEGG   COMPOUND: C14339
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
Other DBs
CAS: 79-97-0
PubChem: 17395339
ChEBI: 34321
NIKKAJI: J10.979G
LinkDB
KCF data

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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