Glyceryl tribenzoate

CAT: 0926-FG44053-01Size: 250 gDry Ice: NoHazardous: No

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CAT#:0926-FG44053-01Size:250 g

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CAS Number

614-33-5

MDL Number

MFCD00020677

Smiles

C1=CC=C (C=C1) C (=O) OCC (COC (=O) C2=CC=CC=C2) OC (=O) C3=CC=CC=C3

Molecular Formula

C24H20O6

Molecular Weight

404.41 g/mol

Controlled

Chemical Information

Glyceryl tribenzoate

Glycerol tribenzoate is a benzoate ester.

CAS Number	614-33-5
PubChem CID	61156
IUPAC Name	2,3-dibenzoyloxypropyl benzoate
Molecular Formula	C24H20O6
Molecular Weight	404.4
XLogP	4.9
Topological Polar Surface Area	78.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Heavy Atom Count	30
Formal Charge	0
Complexity	522

SMILES

C1=CC=C(C=C1)C(=O)OCC(COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H20O6/c25-22(18-10-4-1-5-11-18)28-16-21(30-24(27)20-14-8-3-9-15-20)17-29-23(26)19-12-6-2-7-13-19/h1-15,21H,16-17H2

InChIKey

HIZCTWCPHWUPFU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 614-33-5

CID: 61156

Formula: C24H20O6

MW: 404.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	404.4
XLogP3	4.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Exact Mass	404.12598835
Monoisotopic Mass	404.12598835
Topological Polar Surface Area	78.9 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	522
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
MR02128-01	A-L-Rhamnopyranosyl bromide tribenzoate
CFA09814-01	Glyceryl hexacosanoate
FG174814-01	Glyceryl stearate
FG32028-01	Glyceryl monostearate
FG153347-01	Glyceryl caprylate
FG145186-01	Glyceryl behenate
FP157053-01	Polyethyleneglycol glyceryl monococoate
WCA57435-01	Alpha-glyceryl anthranilate
FG23678	1,3-Glyceryl dilinoleate
FG70143-01	Glyceryl-4-aminobenzoate monomer

Catalog	Name
sc-257561	Glyceryl tribenzoate
OR1079647	Trimethylolpropane Tribenzoate
TRC-B710115-10MG	N-Butyldeoxynojirimycin Tribenzoate
TRC-D446230-2.5MG	D-Digitoxose Tribenzoate
598934	Glyceryl monolinoleate
T15394-01	Glyceryl monocaprate
TYD-01053-01	Glyceryl ascorbate
278413-01	Glyceryl Monostearate
451311-01	Glyceryl Tritridecanoate
451303-01	Glyceryl Behenate