Hexaketocyclohexane octahydrate - CAS 527-31-1

Name: Hexaketocyclohexane octahydrate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB027925
Product Name:	Hexaketocyclohexane octahydrate
CAS:	527-31-1
Synonyms:	cyclohexane-1,2,3,4,5,6-hexone

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Computed Properties

IUPAC Name:	cyclohexane-1,2,3,4,5,6-hexone
Description:	Hexaketocyclohexane octahydrate (CAS# 527-31-1) is a useful research chemical compound.
Molecular Weight:	312.18
Molecular Formula:	C6O6 · 8H2O
Canonical SMILES:	C1(=O)C(=O)C(=O)C(=O)C(=O)C1=O
InChI:	InChI=1S/C6O6/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChI Key:	PKRGYJHUXHCUCN-UHFFFAOYSA-N
Boiling Point:	344.7 °C at 760 mmHg
Density:	1.967 g/cm³
Appearance:	Beige to tan to brown powder or crystalline powder
MDL:	MFCD00149074
LogP:	-2.58540

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[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
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[17746-05-3]C11H21ClO
Undecanoyl chloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate

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GHS Hazard Statement:	H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement:	P261, P271, P280, P302+P352, P304+P340, P317, P321, P362+P364, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
JP-2021125417-A	Positive active material precursor for secondary batteries, positive positive active material for secondary batteries, cathode liquid for secondary batteries, positive positive for secondary batteries and secondary batteries	20200207
US-2020398222-A1	Control of composite covalent organic framework by varying functional groups inside the pore	20190614
CN-110152712-B	Ru-based hydrogen evolution catalyst and preparation method and application thereof	20190606
CN-111755665-A	Lithium ion battery negative electrode material, battery negative electrode and application thereof	20190326
CN-111755665-B	Lithium ion battery negative electrode material, battery negative electrode and application thereof	20190326

PMID	Publication Date	Title	Journal
17226870	20070101	Synthesis, ionisation potentials and electron affinities of hexaazatrinaphthylene derivatives	Chemistry (Weinheim an der Bergstrasse, Germany)
15104460	20040430	In situ synthesis of hexakis(alkoxy)diquinoxalino[2,3-a:2',3'-c]phenazines: mesogenic phase transition of the electron-deficient discotic compounds	The Journal of organic chemistry

Complexity:	243
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.96948772
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	167.96948772
Rotatable Bond Count:	0
Topological Polar Surface Area:	102
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7