Methyl trans-4-Hydroxycyclohexanecarboxylate - CAS 6125-57-1

Catalog:	BB031021
Product Name:	Methyl trans-4-Hydroxycyclohexanecarboxylate
CAS:	6125-57-1
Synonyms:	4-hydroxy-1-cyclohexanecarboxylic acid methyl ester; methyl 4-hydroxycyclohexane-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 4-hydroxycyclohexane-1-carboxylate
Description:	Methyl trans-4-Hydroxycyclohexanecarboxylate (CAS# 6125-57-1) is a useful research chemical.
Molecular Weight:	158.19
Molecular Formula:	C8H14O3
Canonical SMILES:	COC(=O)C1CCC(CC1)O
InChI:	InChI=1S/C8H14O3/c1-11-8(10)6-2-4-7(9)5-3-6/h6-7,9H,2-5H2,1H3
InChI Key:	HYDYVXROZHFTGB-UHFFFAOYSA-N
MDL:	MFCD20441963
LogP:	0.71050

Publication Number	Title	Priority Date
WO-2021203010-A1	Pyrrolo[2,3-f]indazole and 2,4,5,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaene derivatives as alpha-1-antitrypsin modulators for treating alpha-1-antitrypsin deficiency (aatd)	20200403
WO-2021158634-A1	Irak degraders and uses thereof	20200203
KR-20210081286-A	Novel Amino Aryl Derivatives and Their Use as Inhibitors against Diacylglycerol Acyltransferase 2	20191223
WO-2021133035-A1	Novel amino aryl derivative useful as diacylglycerol acyltransferase 2 inhibitor and use thereof	20191223
WO-2021127278-A1	Irak degraders and uses thereof	20191217

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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:	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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7