Methyl 4-Oxotetrahydropyran-3-carboxylate - CAS 127956-11-0

Name: Methyl 4-Oxotetrahydropyran-3-carboxylate
Brand: BOC Sciences
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Catalog:	BB006841
Product Name:	Methyl 4-Oxotetrahydropyran-3-carboxylate
CAS:	127956-11-0
Synonyms:	4-oxo-3-oxanecarboxylic acid methyl ester; methyl 4-oxooxane-3-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 4-oxooxane-3-carboxylate
Description:	Methyl 4-Oxotetrahydropyran-3-carboxylate (CAS# 127956-11-0) is a useful research chemical.
Molecular Weight:	158.15
Molecular Formula:	C7H10O4
Canonical SMILES:	COC(=O)C1COCCC1=O
InChI:	InChI=1S/C7H10O4/c1-10-7(9)5-4-11-3-2-6(5)8/h5H,2-4H2,1H3
InChI Key:	SOWMVLQIMWETEK-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	-0.23500

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]C11H21ClO
Undecanoyl chloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid

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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

Publication Number	Title	Priority Date
CN-111902400-A	Aromatic derivatives, process for their preparation and their medical use	20190305
TW-202100514-A	Aromatic derivatives, preparation methods, and medical uses thereof	20190305
WO-2020177067-A1	Aromatic derivatives, preparation methods, and medical uses thereof	20190305
WO-2020177534-A1	Aromatic derivatives, preparation methods, and medical uses thereof	20190305
WO-2019171278-A1	Heterocylcoalkenyl derivatives useful as agonists of the gpr120 and / or gpr40	20180306

Complexity:	175
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.05790880
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	158.05790880
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.6 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3