Bicyclo[2.2.2]octane-2-carboxylic Acid - CAS 29221-25-8

Catalog:	BB020132
Product Name:	Bicyclo[2.2.2]octane-2-carboxylic Acid
CAS:	29221-25-8
Synonyms:	2-bicyclo[2.2.2]octanecarboxylic acid; bicyclo[2.2.2]octane-2-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	bicyclo[2.2.2]octane-2-carboxylic acid
Description:	Bicyclo[2.2.2]octane-2-carboxylic Acid (CAS# 29221-25-8) is a useful research chemical.
Molecular Weight:	154.21
Molecular Formula:	C9H14O2
Canonical SMILES:	C1CC2CCC1CC2C(=O)O
InChI:	InChI=1S/C9H14O2/c10-9(11)8-5-6-1-3-7(8)4-2-6/h6-8H,1-5H2,(H,10,11)
InChI Key:	PNKGHXVHKCJNBW-UHFFFAOYSA-N
Boiling Point:	266 °C at 760 mmHg
Density:	1.14 g/cm³
MDL:	MFCD00180648
LogP:	1.89730

Publication Number	Title	Priority Date
WO-2021038480-A1	Combinations for treating influenza virus	20190827
CN-113382994-A	Antiviral nucleosides and derivatives thereof	20190201
WO-2020125673-A1	Influenza virus replication inhibitor, intermediate and use thereof	20181219
CN-112771048-A	Inhibitors of influenza virus replication and intermediates and uses thereof	20181219
KR-20210091753-A	Influenza treatment formulation	20181113

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GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Complexity:	168
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.099379685
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	154.099379685
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3