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1-[5-(1,3-Dioxolan-2-yl)-2-thienyl]-3-methyl-1-pentanone

1-[5-(1,3-Dioxolan-2-yl)-2-thienyl]-3-methyl-1-pentanone structure

CAS No:
898772-92-4
Formula:
C13H18O3S
Chemical Name:
1-[5-(1,3-Dioxolan-2-yl)-2-thienyl]-3-methyl-1-pentanone
Synonyms:
1-Pentanone,1-[5-(1,3-dioxolan-2-yl)-2-thienyl]-3-methyl-;1-[5-(1,3-Dioxolan-2-yl)-2-thienyl]-3-methyl-1-pentanone

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1-[5-(1,3-Dioxolan-2-yl)-2-thienyl]-3-methyl-1-pentanone Basic Attributes

Molecular Weight：

254.34500

Exact Mass：

254.35

DSSTox ID：

DTXSID00641912

HScode：

2934999090

Characteristics

PSA：

63.77000

XLogP3：

3.41240

Density：

1.143g/cm3

Boiling Point：

388.3ºC at 760 mmHg

Flash Point：

188.6ºC

Refractive Index：

1.527

Computed Properties

Molecular Weight:254.35
XLogP3:2.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:254.09766561
Monoisotopic Mass:254.09766561
Topological Polar Surface Area:63.8
Heavy Atom Count:17
Complexity:263
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[5-(1,3-Dioxolan-2-yl)-2-thienyl]-3-methyl-1-pentanone

Basic Attributes
Characteristics
Computed Properties

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