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2-OCTANOYLTHIOPHENE

2-OCTANOYLTHIOPHENE structure

CAS No:
30711-41-2
Formula:
C12H18OS
Chemical Name:
2-OCTANOYLTHIOPHENE
Synonyms:
1-THIEN-2-YLOCTAN-1-ONE;2-OCTANOYLTHIOPHENE;1-(2-Thienyl)-1-octanone;Thiophene, 2-octanoyl;n-Heptyl 2-thienyl ketone;1-Thien-2-yloctan-1-one (2-Octanoylthiophene);1-THIEN-2-YLOCTAN-1-ONE 2-OCTANOYLTHIOPHENE;2-N-Octanoylthiophene
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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2-OCTANOYLTHIOPHENE Basic Attributes

Molecular Weight：

210.34

Exact Mass：

210.10800

BRN：

4220

DSSTox ID：

DTXSID00184738

HScode：

2934999090

Characteristics

PSA：

45.3

XLogP3：

4.29130

Density：

1,008 g/cm3

Boiling Point：

120-122°C1mm

Flash Point：

120-122°C/1mm

Refractive Index：

1.52

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN2735

safety instructions：

S24/25

Marks：

T,Xi

Computed Properties

Molecular Weight:210.34
XLogP3:4.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:210.10783637
Monoisotopic Mass:210.10783637
Topological Polar Surface Area:45.3
Heavy Atom Count:14
Complexity:168
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes