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Bicyclo[1.1.1]pentane-1,3-dicarboxylicacid

Bicyclo[1.1.1]pentane-1,3-dicarboxylicacid structure

CAS No:
56842-95-6
Formula:
C7H8O4
Chemical Name:
Bicyclo[1.1.1]pentane-1,3-dicarboxylicacid
Synonyms:
1,1'-Bicyclo[1,1,1]pentane-1,3-dicarboxylic acid;Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid;1,3-Bicyclo[1.1.1]pentanedicarboxylic acid;o[1.1.1]pentane-1,3-dicarboxyL
Categories:
Specialty Chemicals

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Bicyclo[1.1.1]pentane-1,3-dicarboxylicacid Basic Attributes

Molecular Weight：

156.14

Exact Mass：

156.04225873

Characteristics

Density：

1.864±0.06 g/cm3

Melting Point：

260 °C (sublm)

Boiling Point：

205.3±20.0 °C(Predicted)

PKA：

4.23±0.40

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:156.14
XLogP3:-0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:156.04225873
Monoisotopic Mass:156.04225873
Topological Polar Surface Area:74.6
Heavy Atom Count:11
Complexity:203
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Bicyclo[1.1.1]pentane-1,3-dicarboxylicacid

Basic Attributes
Characteristics
Safety Information
Computed Properties
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