1,2-Cycloheptanedione dioxime

CAT: 0127-OR1043791-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1043791-01Size:1 g

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CAS Number

530-97-2

Synonyms

NN'-Dihydroxycycloheptane-1,2-diimine

Purity

98%

Chemical Information

Heptoxime

CAS Number	530-97-2
PubChem CID	135487944
IUPAC Name	N-(2-hydroxyiminocycloheptylidene)hydroxylamine
Molecular Formula	C7H12N2O2
Molecular Weight	156.18
XLogP	1
Topological Polar Surface Area	65.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	167

SMILES

C1CCC(=NO)C(=NO)CC1

InChI

InChI=1S/C7H12N2O2/c10-8-6-4-2-1-3-5-7(6)9-11/h10-11H,1-5H2

InChIKey

LJIRXNPXTVQOEU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 530-97-2

CID: 135487944

Formula: C7H12N2O2

MW: 156.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	156.18
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	156.089877630
Monoisotopic Mass	156.089877630
Topological Polar Surface Area	65.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	167
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	2
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR902471	1,3-Cycloheptanedione
OR1029181-01	2,4-Pentanedione Dioxime
OR920023-01	1,4-Benzoquinone dioxime
OR22493	3,4-dihydroxycyclobutane-1,2-dione dioxime
OR1077612	Acenaphthenequinone Dioxime
OR1043807-01	Terephthalaldehyde dioxime
OR1027238-01	Glutaraldehyde Dioxime
OR1044250-01	4,4'-Dibenzoylquinone dioxime
OR1043290-01	1,2-Cyclopentanedione
OR1039333-01	2,2-Dimethyl-1,3-cyclopentanedione

Catalog	Name
C29880-01	1,2-Cycloheptanedione dioxime 99%
sc-251554	1,2-Cyclohexanedione dioxime
C30380-01	1,2-Cyclohexanedione dioxime 94%
sc-491243	2,2'-Furil dioxime
sc-397120	2,4-Pentanedione dioxime
1041220 500	Dimethyl Glyoxime (2,3-Butanedione Dioxime)
sc-309875A	3- (4-Hydroxybenzyl) -2,4-pentanedione dioxime
sc-210560	6,7-Dinitro-2,3-dihydro-benzo[1,4]dioxime
TRC-F596035-100MG	(11Beta,16Alpha)-9-Fluoro-16,17,21-trihydroxyl-pregna-1,4-diene-3,11,20-trione 3,20-Dioxime
158870	(11β,16α) -9-Fluoro-16,17,21-trihydroxyl-pregna-1,4-diene-3,11,20-trione 3,20-Dioxime