KEGG   COMPOUND: C10804
Entry
C10804                      Compound                               
Name
2-(Hydroxymethyl)benzoic acid;
2-Hydroxymethylbenzoic acid
Formula
C8H8O3
Exact mass
152.0473
Mol weight
152.1473
Structure
Other DBs
CAS: 612-20-4
PubChem: 12987
KNApSAcK: C00002658
3DMET: B04138
NIKKAJI: J94.842J
LinkDB
KCF data

ATOM        11
            1   C8y C    28.6300  -19.8800
            2   C8x C    28.6300  -21.2800
            3   C8x C    27.4400  -21.9800
            4   C8x C    26.1800  -21.2800
            5   C8x C    26.1800  -19.8800
            6   C8y C    27.4400  -19.1800
            7   C1b C    29.8200  -19.1800
            8   C6a C    27.4400  -17.7800
            9   O6a O    26.1800  -17.0800
            10  O6a O    28.6300  -17.0800
            11  O1a O    31.0381  -19.8701
BOND        11
            1     5   6 2
            2     6   1 1
            3     1   7 1
            4     1   2 2
            5     6   8 1
            6     2   3 1
            7     8   9 1
            8     3   4 2
            9     8  10 2
            10    4   5 1
            11    7  11 1

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