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trans-1,4-Cyclohexanedicarboxylic Acid Monomethyl Ester

trans-1,4-Cyclohexanedicarboxylic Acid Monomethyl Ester - CAS 15177-67-0

Catalog:	BB010714
Product Name:	trans-1,4-Cyclohexanedicarboxylic Acid Monomethyl Ester
CAS:	15177-67-0
Synonyms:	4-methoxycarbonyl-1-cyclohexanecarboxylic acid; 4-methoxycarbonylcyclohexane-1-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	4-methoxycarbonylcyclohexane-1-carboxylic acid
Description:	trans-1,4-Cyclohexanedicarboxylic Acid Monomethyl Ester (CAS# 15177-67-0) is a useful research chemical.
Molecular Weight:	186.21
Molecular Formula:	C9H14O4
Canonical SMILES:	COC(=O)C1CCC(CC1)C(=O)O
InChI:	InChI=1S/C9H14O4/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h6-7H,2-5H2,1H3,(H,10,11)
InChI Key:	ZQJNPHCQABYENK-UHFFFAOYSA-N
Boiling Point:	303.1 °C at 760 mmHg
Density:	1.191 g/cm³
LogP:	1.05040

Publication Number	Title	Priority Date
CN-111468112-A	Catalyst for preparing 1, 4-cyclohexane dimethyl phthalate by selective hydrogenation of dimethyl terephthalate and preparation method thereof	20200519
CN-111468112-B	Catalyst for preparing 1, 4-cyclohexane dimethyl phthalate by selective hydrogenation of dimethyl terephthalate and preparation method thereof	20200519
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-2021188696-A1	Stat degraders and uses thereof	20200317
WO-2021158634-A1	Irak degraders and uses thereof	20200203

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P273, P280, P302+P352, P321, P332+P313, P362, and P501
Signal Word:	Warning

Complexity:	204
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.08920892
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	186.08920892
Rotatable Bond Count:	3
Topological Polar Surface Area:	63.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8