Methyl 2-Hydroxycyclohexanecarboxylate - CAS 2236-11-5

Catalog:	BB017558
Product Name:	Methyl 2-Hydroxycyclohexanecarboxylate
CAS:	2236-11-5
Synonyms:	2-hydroxy-1-cyclohexanecarboxylic acid methyl ester; methyl 2-hydroxycyclohexane-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-hydroxycyclohexane-1-carboxylate
Description:	Methyl 2-Hydroxycyclohexanecarboxylate (CAS# 2236-11-5 ) is a useful research chemical.
Molecular Weight:	158.19
Molecular Formula:	C8H14O3
Canonical SMILES:	COC(=O)C1CCCCC1O
InChI:	InChI=1S/C8H14O3/c1-11-8(10)6-4-2-3-5-7(6)9/h6-7,9H,2-5H2,1H3
InChI Key:	IAJQZEQYGUQTQS-UHFFFAOYSA-N
Boiling Point:	233.3 °C at 760 mmHg
Density:	1.121 g/cm³
LogP:	0.71050

Publication Number	Title	Priority Date
WO-2020139639-A1	Curable silicone-based compositions and applications thereof cross reference to related applications	20181226
WO-2020139638-A1	Curable silicone-based compositions and applications thereof cross reference to related applications	20181226
US-10053533-B1	Oligomeric polyol compositions	20170413
US-2018355097-A1	Composition Comprising Oligomeric Polyol Compositions and Polyisocyanates	20170413
US-2019040184-A1	Oligomeric polyol compositions	20170413

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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, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.094294304
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	158.094294304
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4