3,6-Dihydro-2H-pyran-4-boronic Acid - CAS 1002127-60-7

Catalog:	BB000129
Product Name:	3,6-Dihydro-2H-pyran-4-boronic Acid
CAS:	1002127-60-7
Synonyms:	3,6-dihydro-2H-pyran-4-ylboronic acid; 3,6-dihydro-2H-pyran-4-ylboronic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	3,6-dihydro-2H-pyran-4-ylboronic acid
Description:	3,6-Dihydro-2H-pyran-4-boronic Acid (CAS# 1002127-60-7) is a useful research chemical compound.
Molecular Weight:	127.93
Molecular Formula:	C5H9O3B
Canonical SMILES:	B(C1=CCOCC1)(O)O
InChI:	InChI=1S/C5H9BO3/c7-6(8)5-1-3-9-4-2-5/h1,7-8H,2-4H2
InChI Key:	YVWATSXVUOJOIG-UHFFFAOYSA-N
Density:	1.16 g/cm³
Storage:	Inert atmosphere, Store in freezer, under -20 °C
LogP:	-0.65490

Publication Number	Title	Priority Date
WO-2021180952-A1	Fused pyrimidine compounds as kcc2	20200313
CN-112778337-A	3,6 diazabicyclo [3.1.1] heptane derivatives as RET kinase inhibitors	20191108
WO-2021088911-A1	3,6-diazabicyclo[3.1.1]heptane derivative as ret kinase inhibitor	20191108
CN-112574191-A	Isoxazole heterocyclic compound and application thereof	20190929
WO-2020200316-A1	Pyrazolopyridine compound as ret inhibitor and application thereof	20190403

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Complexity:	121
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.0644743
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	128.0644743
Rotatable Bond Count:	1
Topological Polar Surface Area:	49.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0