Methyl 3-Hydroxycyclobutanecarboxylate - CAS 4934-99-0

Catalog:	BB026695
Product Name:	Methyl 3-Hydroxycyclobutanecarboxylate
CAS:	4934-99-0
Synonyms:	3-hydroxy-1-cyclobutanecarboxylic acid methyl ester; methyl 3-hydroxycyclobutane-1-carboxylate

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Computed Properties

IUPAC Name:	methyl 3-hydroxycyclobutane-1-carboxylate
Description:	Methyl 3-Hydroxycyclobutanecarboxylate (CAS# 4934-99-0) is a useful research chemical compound.
Molecular Weight:	130.14
Molecular Formula:	C6H10O3
Canonical SMILES:	COC(=O)C1CC(C1)O
InChI:	InChI=1S/C6H10O3/c1-9-6(8)4-2-5(7)3-4/h4-5,7H,2-3H2,1H3
InChI Key:	BYKHAEUVLSBWSU-UHFFFAOYSA-N
MDL:	MFCD00512755
LogP:	-0.06970

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
WO-2021067606-A1	Brm targeting compounds and associated methods of use	20191001
WO-2021063856-A1	Substituted 3,4-dihydroquinazoline for the treatment and prophylaxis of hepatitis b virus infection	20190930
US-2021094973-A1	Heterocyclic compounds	20190924

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	116
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	130.062994177
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	130.062994177
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0