N-Hexanoyl-L-homoserine lactone
C10H17NO3
147852-83-3 Copyright (C) 2024 ACS
 14 14  0  0  1  0  0  0  0  0999 V2000
    3.7711    1.3628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1048    2.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4384    1.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1048    3.6728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7722    2.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1059    1.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4396    2.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7733    1.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4373    2.1328    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0304    1.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2763    3.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    3.9847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
 10  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <cas.rn>
147852-83-3

> <cas.index.name>
Hexanamide, N-[(3S)-tetrahydro-2-oxo-3-furanyl]-

> <molecular.formula>
C10H17NO3

> <molecular.weight>
199.25

> <melting.point.experimental>
132-134 °C    Solvent: Dichloromethane

> <boiling.point.predicted>
434.039±34.00 °C    Press: 760.00 Torr

> <density.predicted>
1.082±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
15.030±0.20    Most Acidic Temp: 25 °C

$$$$
