cis-3-Hydroxycyclobutanecarboxylic Acid - CAS 552849-33-9

Catalog:	BB028984
Product Name:	cis-3-Hydroxycyclobutanecarboxylic Acid
CAS:	552849-33-9
Synonyms:	3-hydroxy-1-cyclobutanecarboxylic acid; 3-hydroxycyclobutane-1-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	3-hydroxycyclobutane-1-carboxylic acid
Description:	cis-3-Hydroxycyclobutanecarboxylic Acid (CAS# 552849-33-9) is a useful research chemical.
Molecular Weight:	116.12
Molecular Formula:	C5H8O3
Canonical SMILES:	C1C(CC1O)C(=O)O
InChI:	InChI=1S/C5H8O3/c6-4-1-3(2-4)5(7)8/h3-4,6H,1-2H2,(H,7,8)
InChI Key:	ZSHGVMYLGGANKU-UHFFFAOYSA-N
Boiling Point:	290.129 °C at 760 mmHg
Density:	1.448 g/cm³
Appearance:	White to yellow solid
LogP:	-0.15810

Publication Number	Title	Priority Date
WO-2021203025-A1	1 h-pyrazolo[4,3-g]isoquinoline and 1 h-pyrazolo[4,3-g]quinoline derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd)	20200403
WO-2021203028-A1	7- or 8-hydroxy-isoquinoline and 7- or 8-hydroxy-quinoline derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd)	20200403
CN-111217834-A	Nitroxide derivatives of ROCK kinase inhibitors	20200221
AU-2020403705-A1	Nitroxide derivative of rock kinase inhibitor	20200221
EP-3901156-A1	Nitrooxyderivative of rock kinase inhibitor	20200221

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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:	104
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	116.047344113
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	116.047344113
Rotatable Bond Count:	1
Topological Polar Surface Area:	57.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4