3,6-diacetoxy Phthalonitrile

CAT: 0013-GTR19351292-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19351292-01Size:5 mg

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Description

3,6-diacetoxy Phthalonitrile

CAS Number

83619-73-2

Molecular Weight

244.206

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

1,4-Diacetoxy-2,3-dicyanobenzene

used in flow cytometry

CAS Number	83619-73-2
PubChem CID	134319
IUPAC Name	(4-acetyloxy-2,3-dicyanophenyl) acetate
Molecular Formula	C12H8N2O4
Molecular Weight	244.20
XLogP	0.9
Topological Polar Surface Area	100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	18
Formal Charge	0
Complexity	399

SMILES

CC(=O)OC1=C(C(=C(C=C1)OC(=O)C)C#N)C#N

InChI

InChI=1S/C12H8N2O4/c1-7(15)17-11-3-4-12(18-8(2)16)10(6-14)9(11)5-13/h3-4H,1-2H3

InChIKey

VXDCGBVAZDYTFK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 83619-73-2

CID: 134319

Formula: C12H8N2O4

MW: 244.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	244.20
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	244.04840674
Monoisotopic Mass	244.04840674
Topological Polar Surface Area	100 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	399
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GTR19237192-01	Diacetoxy-6-gingerdiol
GTR19279630-01	Diacetoxy-6-gingerdiol
GTR19254753	Phthalonitrile
GTR19229990-01	Methyl diacetoxy-6-gingerdiol
GTR19229879-01	Diacetoxy-4-gingerdiol
GTR19228639-01	1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne
GTR19182408	5,7-Diacetoxy-3,4',8-trimethoxyflavone
GTR19164647-01	5,7-Diacetoxy-8-methoxyflavone
GTR19260729	1β,2β-Diacetoxy-8β,9α,12β-tris (β-furanoyloxy) -4α,6α-dihydroxy-β-dihydroagarofuran
GTR19227152-01	D20,23-3a,12a-diacetoxy-24,24-diphenylcholadiene

Catalog	Name
MBS5797530	3,6-diacetoxy Phthalonitrile
sc-299163	3,6-Bis (decyl) phthalonitrile
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OR1057656-01	3- (p-Tolyloxy) phthalonitrile
OR1057507-01	3- (4- (Hydroxymethyl) phenoxy) phthalonitrile
OR1059966-01	3,4,5,6-Tetrakis (3,6-dimethyl-9H-carbazol-9-yl) phthalonitrile
PC2148	4- (2,2,3,3-Tetrafluoropropoxy) phthalonitrile
PC2149-01	4-[ (2,2,3,3,4,4,5,5-octafluoropentyl) oxy]phthalonitrile
OR1060946-01	4- (4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl) phthalonitrile
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