L-Serine β-lactone tetrafluoroborate salt - CAS 403655-97-0

Catalog:	BB024470
Product Name:	L-Serine β-lactone tetrafluoroborate salt
CAS:	403655-97-0
Synonyms:	[(3S)-2-oxooxetan-3-yl]azanium;tetrafluoroborate

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Computed Properties

IUPAC Name:	[(3S)-2-oxooxetan-3-yl]azanium;tetrafluoroborate
Description:	L-Serine β-lactone tetrafluoroborate salt (CAS# 403655-97-0) is a useful research chemical compound.
Molecular Weight:	174.89
Molecular Formula:	C3H6NO2 · BF4
Canonical SMILES:	[B-](F)(F)(F)F.C1C(C(=O)O1)[NH3+]
InChI:	InChI=1S/C3H5NO2.BF4/c4-2-1-6-3(2)5;2-1(3,4)5/h2H,1,4H2;/q;-1/p+1/t2-;/m0./s1
InChI Key:	ZYHZSWQYHKJXBX-DKWTVANSSA-O
LogP:	-0.54630

Publication Number	Title	Priority Date
US-10111431-B2	Application of biofilm formation inhibiting compounds enhances control of citrus canker	20130311
US-2016021882-A1	Application of biofilm formation inhibiting compounds enhances control of citrus canker	20130311
EP-2863914-B1	Pyrazolyl derivatives as syk inhibitors	20120620
US-2015191461-A1	Pyrazolyl derivatives as syk inhibitors	20120620
US-9242984-B2	Pyrazolyl derivatives as Syk inhibitors	20120620

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	100
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	175.0427712
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	175.0427712
Rotatable Bond Count:	0
Topological Polar Surface Area:	53.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0