cyclobutanecarboxaldehyde - CAS 2987-17-9

Name: cyclobutanecarboxaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB020359
Product Name:	cyclobutanecarboxaldehyde
CAS:	2987-17-9
Synonyms:	cyclobutanecarboxaldehyde; cyclobutanecarbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	cyclobutanecarbaldehyde
Description:	cyclobutanecarboxaldehyde (CAS# 2987-17-9) is a useful synthetic intermediate.
Molecular Weight:	84.12
Molecular Formula:	C5H8O
Canonical SMILES:	C1CC(C1)C=O
InChI:	InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2
InChI Key:	INVYSLWXPIEDIQ-UHFFFAOYSA-N
Boiling Point:	105.412 °C at 760 mmHg
Density:	1.085 g/cm³
MDL:	MFCD03789631
LogP:	0.98540

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Related Functional Groups

Carbonyl Compounds

[87-88-7]C6H2Cl2O4
Chloranilic acid
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[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)-

GHS Hazard Statement:	H302 (95.24%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-2016176864-A1	Novel tricyclic compounds as anticancer agents	20141223
US-2016158207-A1	Therapeutic compounds and uses thereof	20141127
WO-2015193216-A1	Pyrazolyl-triazolyl-pyridines as pest-control agents	20140618
WO-2015193218-A1	Halogen-substituted compounds	20140618
WO-2015190613-A1	Radiolabeled compounds	20140609

PMID	Publication Date	Title	Journal
21741656	20110812	Steric effects on the enantiodiscrimination of diproline chiral stationary phases in the resolution of racemic compounds	Journal of chromatography. A
19222218	20090320	Reactions of monoaryl-substituted methylenecyclobutanes and methylenecyclopropanes with 1-hydroxybenzotriazole (HOBt), 1-hydroxy-7-azabenzotriazole (HOAt), and 1-hydroxysuccinimide (HOSu)	The Journal of organic chemistry
16833864	20050616	Atmospheric chemistry of C3-C6 cycloalkanecarbaldehydes	The journal of physical chemistry. A

Complexity:	55
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	84.057514874
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	84.057514874
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7