2,7-Oxepanedione - CAS 2035-75-8

Name: 2,7-Oxepanedione
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB015831
Product Name:	2,7-Oxepanedione
CAS:	2035-75-8
Synonyms:	oxepane-2,7-dione; oxepane-2,7-dione

Technical Data

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Computed Properties

IUPAC Name:	oxepane-2,7-dione
Description:	2,7-Oxepanedione (CAS# 2035-75-8) is a useful research chemical.
Molecular Weight:	128.13
Molecular Formula:	C6H8O3
Canonical SMILES:	C1CCC(=O)OC(=O)C1
InChI:	InChI=1S/C6H8O3/c7-5-3-1-2-4-6(8)9-5/h1-4H2
InChI Key:	JPSKCQCQZUGWNM-UHFFFAOYSA-N
Boiling Point:	159.9 °C at 760 mmHg
Melting Point:	22 °C
Flash Point:	58.1°C
Density:	1.174 g/cm³
Solubility:	2755 mg/L at 25 °C (est)
Appearance:	Solid
LogP:	0.63020
Refractive Index:	1.456
Vapor Pressure:	2.44mmHg at 25°C

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[17746-05-3]C11H21ClO
Undecanoyl chloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

GHS Hazard Statement:	H302 (33.33%): 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

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PMID	Publication Date	Title	Journal
21634386	20110704	Theoretical study of oxidation of cyclohexane diol to adipic anhydride by [Ru(IV)(O)(tpa)(H2O)]2+ complex (tpa ═ tris(2-pyridylmethyl)amine)	Inorganic chemistry
17438941	20070201	Investigating the effects of surfactants on the size and hydrolytic stability of poly(adipic anhydride) particles	Journal of microencapsulation
16921367	20061001	Histone deacetylase inhibitors reverse gene silencing in Friedreich's ataxia	Nature chemical biology
16044413	20051001	In vitro release of clomipramine HCl and buprenorphine HCl from poly adipic anhydride (PAA) and poly trimethylene carbonate (PTMC) blends	Journal of biomedical materials research. Part A
11197496	20010201	Synthesis, characterization and in vitro degradation of a new family of alternate poly(ester-anhydrides) based on aliphatic and aromatic diacids	Biomaterials

Complexity:	123
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.047344113
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	128.047344113
Rotatable Bond Count:	0
Topological Polar Surface Area:	43.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3