4-Hydroxytetrahydropyran-4-carboxylic Acid - CAS 50289-13-9

Catalog:	BB026992
Product Name:	4-Hydroxytetrahydropyran-4-carboxylic Acid
CAS:	50289-13-9
Synonyms:	4-hydroxy-4-oxanecarboxylic acid; 4-hydroxyoxane-4-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	4-hydroxyoxane-4-carboxylic acid
Description:	4-Hydroxytetrahydropyran-4-carboxylic Acid (CAS# 50289-13-9) is a useful research chemical.
Molecular Weight:	146.14
Molecular Formula:	C6H10O4
Canonical SMILES:	C1COCCC1(C(=O)O)O
InChI:	InChI=1S/C6H10O4/c7-5(8)6(9)1-3-10-4-2-6/h9H,1-4H2,(H,7,8)
InChI Key:	BCYNNNPXILUPDU-UHFFFAOYSA-N
LogP:	-0.38750

Publication Number	Title	Priority Date
WO-2021066149-A1	Pharmaceutical composition and kit characterized by containing novel penam derivative or salt thereof and one or more compounds selected from Î²-lactamase inhibitor compound, antibacterial compound and salts of these	20191004
US-2019367515-A1	Autotaxin inhibitors and uses thereof	20180529
WO-2019228403-A1	Autotaxin inhibitors and uses thereof	20180529
CN-111801328-A	Autotaxin inhibitors and uses thereof	20180529
EP-3728257-A1	Autotaxin inhibitors and uses thereof	20180529

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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:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.05790880
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	146.05790880
Rotatable Bond Count:	1
Topological Polar Surface Area:	66.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7