Catechol diallyl ether

CAT: 0926-EAA21887-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-EAA21887-01Size:250 mg

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CAS Number

4218-87-5

Smiles

C=CCOC1=CC=CC=C1OCC=C

Molecular Formula

C12H14O2

Molecular Weight

190.24 g/mol

Controlled

Chemical Information

1,2-Diallyloxybenzene

CAS Number	4218-87-5
PubChem CID	77894
IUPAC Name	1,2-bis(prop-2-enoxy)benzene
Molecular Formula	C12H14O2
Molecular Weight	190.24
XLogP	2.9
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	14
Formal Charge	0
Complexity	157

SMILES

C=CCOC1=CC=CC=C1OCC=C

InChI

InChI=1S/C12H14O2/c1-3-9-13-11-7-5-6-8-12(11)14-10-4-2/h3-8H,1-2,9-10H2

InChIKey

GZWLFCGQNCRLIN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4218-87-5

CID: 77894

Formula: C12H14O2

MW: 190.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	190.24
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	190.099379685
Monoisotopic Mass	190.099379685
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	157
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
FC71015-01	Catechol hydroxyethyl ether
FC71276-01	Catechol diethyl ether
FD59865-01	Diallyl disulfide
FD41115-01	Diallyl trisulfide
GAA29479-01	Diallyl Isocyanurate
FD45432	Diallyl dicarbonate
FD30690-01	Diallyl succinate
FC19837-01	Catechol
FC10736-01	Catechol violet
DEA96358-01	Catechol-d4

Catalog	Name
sc-504708	Catechol Diallyl Ether
451287-01	Glycerol α, α'-Diallyl Ether
OR1015348-01	Trimethylolpropane Diallyl Ether
451294-01	Glycerol-d5 α, α'-Diallyl Ether
OR1038803-01	Poly (ethylene glycol) diallyl ether
TBZ1223	4,4'-Diallyl-2,3'-dihydroxybiphenyl ether
D03200-01	Diallyl
HY-117235-01	Diallyl Trisulfide
TRC-D416110-5G	Diallyl Succinate
HY-129422	Diallyl G