3-Oxocyclobutanecarboxylic acid - CAS 23761-23-1

Name: 3-Oxocyclobutanecarboxylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB018171
Product Name:	3-Oxocyclobutanecarboxylic acid
CAS:	23761-23-1
Synonyms:	3-oxo-1-cyclobutanecarboxylic acid; 3-oxocyclobutane-1-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	3-oxocyclobutane-1-carboxylic acid
Description:	3-Oxocyclobutanecarboxylic acid (CAS# 23761-23-1) is a compound useful in organic synthesis.
Molecular Weight:	114.10
Molecular Formula:	C5H6O3
Canonical SMILES:	C1C(CC1=O)C(=O)O
InChI:	InChI=1S/C5H6O3/c6-4-1-3(2-4)5(7)8/h3H,1-2H2,(H,7,8)
InChI Key:	IENOFRJPUPTEMI-UHFFFAOYSA-N
Boiling Point:	296 °C
Purity:	97.0 %
Density:	1.431 g/cm³
MDL:	MFCD00100900
LogP:	0.05010

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H302 (92.86%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
US-2016002169-A1	Heterocyclic compound	20140701
US-2016176822-A1	Heterocyclic compound	20140701
US-2016176872-A1	Heterocyclic compound	20140701
US-2016176873-A1	Heterocyclic compound	20140701
US-9365520-B2	Heterocyclic compound	20140701

Complexity:	131
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	114.031694049
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	114.031694049
Rotatable Bond Count:	1
Topological Polar Surface Area:	54.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.8