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Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acid

Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acid - CAS 56842-95-6

Catalog:	BB029507
Product Name:	Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acid
CAS:	56842-95-6
Synonyms:	bicyclo[1.1.1]pentane-1,3-dicarboxylic acid; bicyclo[1.1.1]pentane-1,3-dicarboxylic acid

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Computed Properties

IUPAC Name:	bicyclo[1.1.1]pentane-1,3-dicarboxylic acid
Description:	Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acid (CAS# 56842-95-6) is a starting material for polymers. A useful reagent for click chemistry and biological studies.
Molecular Weight:	156.14
Molecular Formula:	C7H8O4
Canonical SMILES:	C1C2(CC1(C2)C(=O)O)C(=O)O
InChI:	InChI=1S/C7H8O4/c8-4(9)6-1-7(2-6,3-6)5(10)11/h1-3H2,(H,8,9)(H,10,11)
InChI Key:	SBLRPOGZAJTJEG-UHFFFAOYSA-N
Appearance:	White to off-white powder
LogP:	0.32590

Publication Number	Title	Priority Date
WO-2021111124-A1	Polyheterocyclic compounds as mettl3 inhibitors	20191202
US-2021115010-A1	Bicyclo[1.1.1]pentane inhibitors of dual leucine zipper (dlk) kinase for the treatment of disease	20191021
WO-2020168148-A1	Substituted bicyclic compounds as farnesoid x receptor modulators	20190215
KR-20210116529-A	NLRP3 modulators	20190114
CN-112424167-A	Chemical compound	20180709

PMID	Publication Date	Title	Journal
11300824	20010312	The simplest supramolecular complexes containing pairs of Mo(2)(formamidinate)(3) units linked with various dicarboxylates: preparative methods, structures, and electrochemistry	Inorganic chemistry

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

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:	203
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.04225873
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	156.04225873
Rotatable Bond Count:	2
Topological Polar Surface Area:	74.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4