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Structure

1-Benzo(1,3)dioxol-5-yl-butane-1,3-dione

CAS
56221-42-2
Catalog Number
ACM56221422
Category
Other Products
Molecular Weight
206.19
Molecular Formula
C11H10O4

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Specification

Synonyms
1-BENZO[1,3]DIOXOL-5-YL-BUTANE-1,3-DIONE
IUPAC Name
1-(1,3-benzodioxol-5-yl)butane-1,3-dione
Canonical SMILES
CC(=O)CC(=O)C1=CC2=C(C=C1)OCO2
InChI Key
FMKFSZUUHDNYCL-UHFFFAOYSA-N
Boiling Point
363ºC at 760mmHg
Flash Point
163.6ºC
Density
1.27g/cm³
Exact Mass
206.05800
H-Bond Acceptor
4
H-Bond Donor
0

Upstream Synthesis Route 1

  • 326-56-7
  • 56221-42-2

Reference: [1]Mors et al.
[Journal of the American Chemical Society, 1957, vol. 79, p. 4507,4510]

Upstream Synthesis Route 2

  • 4433-92-5
  • 56221-42-2

Reference: [1]Mors et al.
[Journal of the American Chemical Society, 1957, vol. 79, p. 4507,4510]
[2]Mors et al.
[Journal of the American Chemical Society, 1957, vol. 79, p. 4507,4510]

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