8-(Hydroxymethyl)-1,4-dioxaspiro[4.5]decane - CAS 17159-82-9

Name: 8-(Hydroxymethyl)-1,4-dioxaspiro[4.5]decane
Brand: BOC Sciences
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Catalog:	BB012762
Product Name:	8-(Hydroxymethyl)-1,4-dioxaspiro[4.5]decane
CAS:	17159-82-9
Synonyms:	1,4-dioxaspiro[4.5]decan-8-ylmethanol; 1,4-dioxaspiro[4.5]decan-8-ylmethanol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1,4-dioxaspiro[4.5]decan-8-ylmethanol
Description:	8-(Hydroxymethyl)-1,4-dioxaspiro[4.5]decane (CAS# 17159-82-9) is a useful research chemical.
Molecular Weight:	172.22
Molecular Formula:	C9H16O3
Canonical SMILES:	C1CC2(CCC1CO)OCCO2
InChI:	InChI=1S/C9H16O3/c10-7-8-1-3-9(4-2-8)11-5-6-12-9/h8,10H,1-7H2
InChI Key:	YXNMORHRGMYQKF-UHFFFAOYSA-N
LogP:	0.91200

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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

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WO-2021158634-A1	Irak degraders and uses thereof	20200203
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Complexity:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.109944368
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	172.109944368
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5