(1R,2R)-Cyclohexane-1,2-dicarboxylic Acid - CAS 46022-05-3

Catalog:	BB026057
Product Name:	(1R,2R)-Cyclohexane-1,2-dicarboxylic Acid
CAS:	46022-05-3
Synonyms:	(1R,2R)-cyclohexane-1,2-dicarboxylic acid; (1R,2R)-cyclohexane-1,2-dicarboxylic acid

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	(1R,2R)-cyclohexane-1,2-dicarboxylic acid
Description:	(1R,2R)-Cyclohexane-1,2-dicarboxylic Acid (CAS# 46022-05-3) is a compound useful in organic synthesis.
Molecular Weight:	172.18
Molecular Formula:	C8H12O4
Canonical SMILES:	C1CCC(C(C1)C(=O)O)C(=O)O
InChI:	InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6-/m1/s1
InChI Key:	QSAWQNUELGIYBC-PHDIDXHHSA-N
Boiling Point:	384.075 °C at 760 mmHg
Density:	1.315 g/cm³
LogP:	0.96200

Publication Number	Title	Priority Date
CN-113292433-A	Synthesis method of trans-1, 2-cyclohexane dicarboxylic acid monomethyl ester	20210525
CN-112480396-A	Process and apparatus for producing semi-aromatic polyamide	20201031
WO-2021204600-A1	Polyamide composition for optical elements	20200409
WO-2021156403-A1	Cross-linked aliphatic polyketones	20200205
WO-2021151850-A1	Thermoplastic polyamide molding compositions that resist heat	20200127

PMID	Publication Date	Title	Journal
22735343	20120821	Simple and efficient methods for discrimination of chiral diacids and chiral alpha-methyl amines	Organic & biomolecular chemistry
22786664	20120813	The role of the alcohol and carboxylic acid in directed ruthenium-catalyzed C(sp3)-H α-alkylation of cyclic amines	Chemistry (Weinheim an der Bergstrasse, Germany)
21123887	20101201	Three-dimensional hydrogen-bonded structures in the guanidinium salts of the monocyclic dicarboxylic acids rac-trans-cyclohexane-1,2-dicarboxylic acid (2:1, anhydrous), isophthalic acid (1:1, monohydrate) and terephthalic acid (2:1, trihydrate)	Acta crystallographica. Section C, Crystal structure communications
21202717	20080503	Low-temperature redetermination of trans-cyclo-hexane-1,2-dicarboxylic acid	Acta crystallographica. Section E, Structure reports online
16372093	20060114	Coexistence of spin frustration and long-range magnetic ordering in a triangular Co(II)3(mu3-OH)-based two-dimensional compound	Chemical communications (Cambridge, England)

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride

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:	177
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	172.07355886
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	172.07355886
Rotatable Bond Count:	2
Topological Polar Surface Area:	74.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9