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3-(decylthio)propanoicacid

3-(decylthio)propanoicacid structure

CAS No:
60972-24-9
Formula:
C13H26O2S
Chemical Name:
3-(decylthio)propanoicacid
Synonyms:
3-(decylthio)propanoic acid;Propanoic acid, 3-(decylthio)-

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3-(decylthio)propanoicacid Basic Attributes

Molecular Weight：

246.41

Exact Mass：

246.16535124 g/mol

Characteristics

PSA：

62.6 Å²

XLogP3：

4.335

Density：

0.978±0.06 g/cm3

Melting Point：

42-43 °C

Boiling Point：

210 °C(Press: 35 Torr)

PKA：

4.37±0.10

Computed Properties

Molecular Weight:246.41
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:12
Exact Mass:246.16535124
Monoisotopic Mass:246.16535124
Topological Polar Surface Area:62.6
Heavy Atom Count:16
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(decylthio)propanoicacid

Basic Attributes
Characteristics
Computed Properties

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