2-[(1-Hydroxy-2-oxo-2-phenylethyl)thio]acetic acid
C10H10O4S
37510-29-5 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  15 15 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 4.0012 3.0801 0.0 0
M  V30 2 C 5.3348 2.3101 0.0 0
M  V30 3 O 4.0012 4.6201 0.0 0
M  V30 4 S 6.6685 3.0801 0.0 0
M  V30 5 O 5.3348 0.7700 0.0 0
M  V30 6 C 8.0023 2.3101 0.0 0
M  V30 7 C 9.3360 3.0801 0.0 0
M  V30 8 O 9.3360 4.6201 0.0 0
M  V30 9 O 10.6697 2.3101 0.0 0
M  V30 10 C 2.6673 2.3101 0.0 0
M  V30 11 C 1.3337 3.0801 0.0 0
M  V30 12 C 2.6673 0.7700 0.0 0
M  V30 13 C 0.0000 2.3101 0.0 0
M  V30 14 C 1.3337 0.0000 0.0 0
M  V30 15 C 0.0000 0.7700 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 1 3
M  V30 3 1 1 10
M  V30 4 1 2 4
M  V30 5 1 2 5
M  V30 6 1 4 6
M  V30 7 1 6 7
M  V30 8 1 7 8
M  V30 9 2 7 9
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 2 12 14
M  V30 14 2 13 15
M  V30 15 1 14 15
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
37510-29-5

> <cas.index.name>
Acetic acid, 2-[(1-hydroxy-2-oxo-2-phenylethyl)thio]-

> <molecular.formula>
C10H10O4S

> <molecular.weight>
226.25

> <boiling.point.predicted>
417.4±45.0 °C    Press: 760 Torr

> <density.predicted>
1.410±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
3.50±0.10    Most Acidic Temp: 25 °C

$$$$
