cis-1,3-Cyclohexanedicarboxylic Acid - CAS 2305-31-9

Catalog:	BB017880
Product Name:	cis-1,3-Cyclohexanedicarboxylic Acid
CAS:	2305-31-9
Synonyms:	(1S,3R)-cyclohexane-1,3-dicarboxylic acid; (1S,3R)-cyclohexane-1,3-dicarboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	(1S,3R)-cyclohexane-1,3-dicarboxylic acid
Description:	cis-1,3-Cyclohexanedicarboxylic Acid (CAS# 2305-31-9) is a useful research chemical compound.
Molecular Weight:	172.18
Molecular Formula:	C8H12O4
Canonical SMILES:	C1CC(CC(C1)C(=O)O)C(=O)O
InChI:	InChI=1S/C8H12O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6+
InChI Key:	XBZSBBLNHFMTEB-OLQVQODUSA-N
LogP:	0.96200

Publication Number	Title	Priority Date
WO-2021204600-A1	Polyamide composition for optical elements	20200409
WO-2021160876-A1	Polymeric ports and corresponding fabrication methods and articles	20200213
WO-2021156403-A1	Cross-linked aliphatic polyketones	20200205
WO-2021151850-A1	Thermoplastic polyamide molding compositions that resist heat	20200127
WO-2021148258-A1	Pbt-based composition	20200121

PMID	Publication Date	Title	Journal
18517254	20080704	New, efficient synthesis of oseltamivir phosphate (Tamiflu) via enzymatic desymmetrization of a meso-1,3-cyclohexanedicarboxylic acid diester	The Journal of organic chemistry

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	179
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:	0.7