cis-2-Oxabicyclo[3.3.0]oct-6-en-3-one - CAS 26054-46-6

Name: cis-2-Oxabicyclo[3.3.0]oct-6-en-3-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB019119
Product Name:	cis-2-Oxabicyclo[3.3.0]oct-6-en-3-one
CAS:	26054-46-6
Synonyms:	(3aS,6aR)-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one; (3aS,6aR)-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(3aS,6aR)-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one
Description:	cis-2-Oxabicyclo[3.3.0]oct-6-en-3-one (CAS# 26054-46-6 ) is a useful research chemical.
Molecular Weight:	124.14
Molecular Formula:	C7H8O2
Canonical SMILES:	C1C=CC2C1OC(=O)C2
InChI:	InChI=1S/C7H8O2/c8-7-4-5-2-1-3-6(5)9-7/h1-2,5-6H,3-4H2/t5-,6-/m1/s1
InChI Key:	RYBPGUMSFWGGLP-PHDIDXHHSA-N
Boiling Point:	73 - 76 °C (1 mmHg)
LogP:	0.87800

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[17746-05-3]C11H21ClO
Undecanoyl chloride

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-2014148508-A1	C-3 substituted bicyclooctane based hiv protease inhibitors	20110711
US-9309213-B2	C-3 substituted bicyclooctane based HIV protease inhibitors	20110711
WO-2013009844-A2	C-3 substituted bicyclooctane based hiv protease inhibitors	20110711
US-2011201809-A1	Process for Preparing Entecavir and its Intermediates	20100216
US-8481728-B2	Process for preparing entecavir and its intermediates	20100216

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	124.052429494
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	124.052429494
Rotatable Bond Count:	0
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8