1-Cyanocyclobutanecarboxylic Acid - CAS 30491-91-9

Catalog:	BB020628
Product Name:	1-Cyanocyclobutanecarboxylic Acid
CAS:	30491-91-9
Synonyms:	1-cyano-1-cyclobutanecarboxylic acid; 1-cyanocyclobutane-1-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	1-cyanocyclobutane-1-carboxylic acid
Description:	1-Cyanocyclobutanecarboxylic Acid (CAS# 30491-91-9) is a useful research chemical.
Molecular Weight:	125.13
Molecular Formula:	C6H7NO2
Canonical SMILES:	C1CC(C1)(C#N)C(=O)O
InChI:	InChI=1S/C6H7NO2/c7-4-6(5(8)9)2-1-3-6/h1-3H2,(H,8,9)
InChI Key:	UMPNPEAXNWBDME-UHFFFAOYSA-N
Boiling Point:	324.3 °C at 760 mmHg
Density:	1.27 g/cm³
MDL:	MFCD11100208
LogP:	0.76488

Publication Number	Title	Priority Date
WO-2021115335-A1	Compound as cyclin-dependent kinase 9 inhibitor and use thereof	20191209
US-2020017461-A1	3-(5-hydroxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof	20180710
WO-2020012334-A1	3-(5-hydroxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and their use in the treatment of ikaros family zinc finger 2 (ikzf2)-dependent diseases	20180710
AU-2019301944-A1	3-(5-hydroxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and their use in the treatment of Ikaros family zinc finger 2 (IKZF2)-dependent diseases	20180710
BR-112020026947-A2	DERIVATIVES OF 3- (5-HYDROXY-1-OXOISOINDOLIN-2-IL) PIPERIDIN-2,6-DIONA AND ITS USE IN THE TREATMENT OF ZINC FINGER-RELATED DISEASES OF THE IKAROS 2 FAMILY (IKZF2)	20180710

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	125.047678466
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	125.047678466
Rotatable Bond Count:	1
Topological Polar Surface Area:	61.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6