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3,3-DIFLUORO-CYCLOBUTANE-1,1-DICARBOXYLICACID

3,3-DIFLUORO-CYCLOBUTANE-1,1-DICARBOXYLICACID structure

CAS No:
827032-80-4
Formula:
C6H6F2O4
Chemical Name:
3,3-DIFLUORO-CYCLOBUTANE-1,1-DICARBOXYLICACID
Synonyms:
3,3-DIFLUORO-CYCLOBUTANE-1,1-DICARBOXYLIC ACID;1,1-Cyclobutanedicarboxylic acid, 3,3-difluoro-

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3,3-DIFLUORO-CYCLOBUTANE-1,1-DICARBOXYLICACID Basic Attributes

Molecular Weight：

180.11

Exact Mass：

180.02341499

DSSTox ID：

DTXSID70698731

Characteristics

Density：

1.63±0.1 g/cm3

Melting Point：

170.2-171.2 °C

Boiling Point：

365.0±42.0 °C(Predicted)

PKA：

2.66±0.50

Safety Information

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:180.11
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:180.02341499
Monoisotopic Mass:180.02341499
Topological Polar Surface Area:74.6
Heavy Atom Count:12
Complexity:224
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,3-DIFLUORO-CYCLOBUTANE-1,1-DICARBOXYLICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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