KEGG   COMPOUND: C20343
Entry
C20343                      Compound                               
Name
Isopropylparaben;
Isopropyl 4-hydroxybenzoate
Formula
C10H12O3
Exact mass
180.0786
Mol weight
180.20
Structure
Other DBs
CAS: 4191-73-5
PubChem: 163312081
ChEBI: 179285
LinkDB
KCF data

ATOM        13
            1   C8x C    12.9500  -17.4300
            2   C8x C    12.9500  -18.8300
            3   C8y C    14.1624  -19.5300
            4   C8x C    15.3749  -18.8300
            5   C8x C    15.3749  -17.4300
            6   C8y C    14.1624  -16.7300
            7   O1a O    14.1624  -20.9298
            8   C7a C    14.1624  -15.3302
            9   O7a O    12.9332  -14.6203
            10  O6a O    15.3580  -14.6398
            11  C1c C    11.7292  -15.3154
            12  C1a C    10.5463  -14.6323
            13  C1a C    11.7289  -16.7297
BOND        13
            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     3   7 1
            8     6   8 1
            9     8   9 1
            10    8  10 2
            11    9  11 1
            12   11  12 1
            13   11  13 1

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