Diallyl isophthalate

CAT: 0024-sc-487709Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-487709Size:25 g

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CAS Number

1087-21-4

Chemical Information

Diallyl isophthalate

CAS Number	1087-21-4
PubChem CID	66183
IUPAC Name	bis(prop-2-enyl) benzene-1,3-dicarboxylate
Molecular Formula	C14H14O4
Molecular Weight	246.26
XLogP	2.9
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	18
Formal Charge	0
Complexity	292

SMILES

C=CCOC(=O)C1=CC(=CC=C1)C(=O)OCC=C

InChI

InChI=1S/C14H14O4/c1-3-8-17-13(15)11-6-5-7-12(10-11)14(16)18-9-4-2/h3-7,10H,1-2,8-9H2

InChIKey

OOORLLSLMPBSPT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1087-21-4

CID: 66183

Formula: C14H14O4

MW: 246.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	246.26
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	246.08920892
Monoisotopic Mass	246.08920892
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	292
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