7-Oxabicyclo[2.2.1]heptane - CAS 279-49-2

Catalog:	BB019717
Product Name:	7-Oxabicyclo[2.2.1]heptane
CAS:	279-49-2
Synonyms:	7-oxabicyclo[2.2.1]heptane

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Computed Properties

IUPAC Name:	7-oxabicyclo[2.2.1]heptane
Description:	7-Oxabicyclo[2.2.1]heptane (CAS# 279-49-2) is a useful research chemical.
Molecular Weight:	98.14
Molecular Formula:	C6H10O
Canonical SMILES:	C1CC2CCC1O2
InChI:	InChI=1S/C6H10O/c1-2-6-4-3-5(1)7-6/h5-6H,1-4H2
InChI Key:	YPWFNLSXQIGJCK-UHFFFAOYSA-N
Boiling Point:	119 ℃ (713 torr)
Purity:	95 %
Density:	0.968 g/mL at 25 ℃ (lit.)
Appearance:	Clear colourless liquid
Storage:	Flammables area
MDL:	MFCD00082342
LogP:	1.32780

Publication Number	Title	Priority Date
CN-113321954-A	Water-based weather-resistant elastic hand feeling coating and preparation method and use method thereof	20210615
KR-102178342-B1	A lateral heterojunction sheet and manufacturing method thereof	20200410
WO-2021207052-A1	Arginine methyltransferase 5 (prmt5) degraders and uses thereof	20200406
WO-2021202437-A1	Methods and pharmaceutical compositions of thromboxane a2 receptor antagonist for the treatment of covid-19	20200331
KR-102151214-B1	A multi layer sheet manufacturing plastic foam and plastic form using thereof	20200327

PMID	Publication Date	Title	Journal
22065044	20111001	Poly[[(2,2'-bipyridine)(μ(3)-7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxyl-ato)cadmium] monohydrate]	Acta crystallographica. Section E, Structure reports online
22090887	20110801	Triaqua-(7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxyl-ato-κO,O,O)cobalt(II) monohydrate	Acta crystallographica. Section E, Structure reports online
22091020	20110801	(1S,3S,8S,10S)-10-Fluoro-15-oxa-tetra-cyclo-[6.6.1.0.0]penta-deca-5,12-dien-3-ol	Acta crystallographica. Section E, Structure reports online
21588187	20100717	Tris(2-amino-1,3-thia-zole-κN)(7-oxa-bicyclo-[2.2.1]heptane-2,3-dicarboxyl-ato-κO,O,O)cadmium(II) dihydrate	Acta crystallographica. Section E, Structure reports online
21579348	20100529	catena-Poly[[diaqua-manganese(II)]-μ-7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxyl-ato]	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Danger

Complexity:	62.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	98.07316493799999
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	98.07316493799999
Rotatable Bond Count:	0
Topological Polar Surface Area:	9.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2