Dimethyl 1,3-Cyclopentanedicarboxylate - CAS 2435-36-1

Catalog:	BB018428
Product Name:	Dimethyl 1,3-Cyclopentanedicarboxylate
CAS:	2435-36-1
Synonyms:	cyclopentane-1,3-dicarboxylic acid dimethyl ester; dimethyl cyclopentane-1,3-dicarboxylate

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Computed Properties

IUPAC Name:	dimethyl cyclopentane-1,3-dicarboxylate
Description:	Dimethyl 1,3-Cyclopentanedicarboxylate (CAS# 2435-36-1) is a useful research chemical.
Molecular Weight:	186.21
Molecular Formula:	C9H14O4
Canonical SMILES:	COC(=O)C1CCC(C1)C(=O)OC
InChI:	InChI=1S/C9H14O4/c1-12-8(10)6-3-4-7(5-6)9(11)13-2/h6-7H,3-5H2,1-2H3
InChI Key:	SQFQEQDRLAZVJQ-UHFFFAOYSA-N
Boiling Point:	240.829 ℃ at 760 mmHg
Density:	1.136 g/cm³
LogP:	0.74870

Publication Number	Title	Priority Date
WO-2020168149-A1	Substituted amide compounds useful as farnesoid x receptor modulators	20190215
US-2020181104-A1	Ssao inhibitors and uses thereof	20181024
WO-2020086747-A2	Ssao inhibitors and uses thereof	20181024
CN-113226296-A	SSAO inhibitors and uses thereof	20181024
EP-3870162-A2	Ssao inhibitors and uses thereof	20181024

PMID	Publication Date	Title	Journal
12098325	20020712	Oxidative carbomethoxylation of alkenes using a Pd(II)/molybdovanadophosphate (NPMoV) system under carbon monoxide and air	The Journal of organic chemistry

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Complexity:	190
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:	0
Isotope Atom Count:	0
Monoisotopic Mass:	186.08920892
Rotatable Bond Count:	4
Topological Polar Surface Area:	52.6
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8