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1-[3-(1-Azetidinylmethyl)phenyl]-1,8-undecanedione

1-[3-(1-Azetidinylmethyl)phenyl]-1,8-undecanedione structure

CAS No:
898761-20-1
Formula:
C21H31NO2
Chemical Name:
1-[3-(1-Azetidinylmethyl)phenyl]-1,8-undecanedione
Synonyms:
1,8-Undecanedione,1-[3-(1-azetidinylmethyl)phenyl]-;1-[3-(1-Azetidinylmethyl)phenyl]-1,8-undecanedione

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1-[3-(1-Azetidinylmethyl)phenyl]-1,8-undecanedione Basic Attributes

Molecular Weight：

331.44900

Exact Mass：

329.48

DSSTox ID：

DTXSID20643291

Characteristics

PSA：

46.61000

XLogP3：

3.91660

Density：

1.078g/cm3

Boiling Point：

449.9ºC at 760 mmHg

Flash Point：

225.9ºC

Refractive Index：

1.533

Computed Properties

Molecular Weight:331.4
XLogP3:3.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:12
Exact Mass:331.21474379
Monoisotopic Mass:331.21474379
Topological Polar Surface Area:46.6
Heavy Atom Count:24
Complexity:392
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[3-(1-Azetidinylmethyl)phenyl]-1,8-undecanedione

Basic Attributes
Characteristics
Computed Properties

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