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2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-phenylcyclohexane-1,3-dione

2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-phenylcyclohexane-1,3-dione structure

CAS No:
77053-97-5
Formula:
C22H20O5
Chemical Name:
2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-phenylcyclohexane-1,3-dione

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2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-phenylcyclohexane-1,3-dione Basic Attributes

Molecular Weight：

364.39100

Exact Mass：

364.13107373

DSSTox ID：

DTXSID00227851

Characteristics

PSA：

69.67000

XLogP3：

3.24900

Density：

1.286g/cm3

Boiling Point：

569.9ºC

Flash Point：

250.3ºC

Refractive Index：

1.599

Computed Properties

Molecular Weight:364.4
XLogP3:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:364.13107373
Monoisotopic Mass:364.13107373
Topological Polar Surface Area:69.7
Heavy Atom Count:27
Complexity:561
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-phenylcyclohexane-1,3-dione

Basic Attributes
Characteristics
Computed Properties

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