5,8-Dioxaspiro[3.4]octan-2-one - CAS 1824626-99-4

Catalog:	BB013998
Product Name:	5,8-Dioxaspiro[3.4]octan-2-one
CAS:	1824626-99-4
Synonyms:	5,8-dioxaspiro[3.4]octan-2-one; 5,8-dioxaspiro[3.4]octan-2-one

Technical Data

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Computed Properties

IUPAC Name:	5,8-dioxaspiro[3.4]octan-2-one
Description:	5,8-Dioxaspiro[3.4]octan-2-one (CAS# 1824626-99-4 ) is a useful research chemical.
Molecular Weight:	128.13
Molecular Formula:	C6H8O3
Canonical SMILES:	C1COC2(O1)CC(=O)C2
InChI:	InChI=1S/C6H8O3/c7-5-3-6(4-5)8-1-2-9-6/h1-4H2
InChI Key:	KARIQPWEPVPIQI-UHFFFAOYSA-N

Publication Number	Title	Priority Date
US-2010113417-A1	Substituted Spiroamine Compounds	20081029
US-8278319-B2	Substituted spiroamine compounds	20081029
US-2011190340-A1	Bi- and polycyclic substituted isoquinoline and isoquinolinone derivatives	20080624
US-2011190341-A1	Substituted isoquinolines and isoquinolinones as rho kinase inhibitors	20080624
US-8524737-B2	Bi- and polycyclic substituted isoquinoline and isoquinolinone derivatives	20080624

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.047344113
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	128.047344113
Rotatable Bond Count:	0
Topological Polar Surface Area:	35.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.9