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(R)-1,4-Dioxaspiro[4.5]decane-2-carboxaldehyde

(R)-1,4-Dioxaspiro[4.5]decane-2-carboxaldehyde - CAS 78008-36-3

Catalog:	BB036099
Product Name:	(R)-1,4-Dioxaspiro[4.5]decane-2-carboxaldehyde
CAS:	78008-36-3
Synonyms:	(3R)-1,4-dioxaspiro[4.5]decane-3-carbaldehyde

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Computed Properties

IUPAC Name:	(3R)-1,4-dioxaspiro[4.5]decane-3-carbaldehyde
Description:	(R)-1,4-Dioxaspiro[4.5]decane-2-carboxaldehyde (CAS# 78008-36-3) is a useful research chemical.
Molecular Weight:	170.21
Molecular Formula:	C9H14O3
Canonical SMILES:	C1CCC2(CC1)OCC(O2)C=O
InChI:	InChI=1S/C9H14O3/c10-6-8-7-11-9(12-8)4-2-1-3-5-9/h6,8H,1-5,7H2/t8-/m0/s1
InChI Key:	FFGZPNNLXMQFMO-QMMMGPOBSA-N
Boiling Point:	271.195 °C at 760 mmHg
Density:	1.108 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD03093997
LogP:	1.26110

Publication Number	Title	Priority Date
JP-2019525908-A	Pyrazolylaminobenzimidazole derivatives as JAK inhibitors	20160714
JP-6712331-B2	Pyrazolylaminobenzimidazole derivatives as JAK inhibitors	20160714
KR-20190015561-A	Pyrazolylaminobenzimidazole derivatives as JAK inhibitors	20160714
US-10323019-B2	Pyrazolylaminobenzimidazole derivatives as JAK inhibitors	20160714
US-10344018-B2	Pyrazolylaminobenzimidazole derivatives as JAK inhibitors	20160714

PMID	Publication Date	Title	Journal
21612257	20110715	Stereodivergent route to the carbocyclic core of 2',3'-olefinic carbanucleosides: toward the synthesis of (L)-(+)- and (D)-(-)-carbovir	The Journal of organic chemistry

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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:	173
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	170.094294304
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	170.094294304
Rotatable Bond Count:	1
Topological Polar Surface Area:	35.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1