Diallyl Isocyanurate

CAT: 0024-sc-487695Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-487695Size:25 g

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CAS Number

6294-79-7

Chemical Information

Diallyl Isocyanurate

CAS Number	6294-79-7
PubChem CID	94974
IUPAC Name	1,3-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
Molecular Formula	C9H11N3O3
Molecular Weight	209.20
XLogP	0.5
Topological Polar Surface Area	69.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	307

SMILES

C=CCN1C(=O)NC(=O)N(C1=O)CC=C

InChI

InChI=1S/C9H11N3O3/c1-3-5-11-7(13)10-8(14)12(6-4-2)9(11)15/h3-4H,1-2,5-6H2,(H,10,13,14)

InChIKey

UCBVELLBUAKUNE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6294-79-7

CID: 94974

Formula: C9H11N3O3

MW: 209.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	209.20
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	209.08004122
Monoisotopic Mass	209.08004122
Topological Polar Surface Area	69.7 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	307
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
sc-487704	Diallyl propyl isocyanurate
sc-255079	Diallyl maleate
sc-257314	Diallyl pyrocarbonate
sc-205645	Diallyl trisulfide
sc-204718A	Diallyl sulfide
sc-476165	Diallyl Terephthalate
sc-471965	Diallyl Adipate
sc-239674	Diallyl phthalate
sc-205645A	Diallyl trisulfide
sc-255079A	Diallyl maleate