Myristyl gallate

CAT: 0926-FM70373-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0926-FM70373-01Size:25 g

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CAS Number

18244-73-0

Synonyms

Tetradecyl gallate

MDL Number

MFCD00016427

Smiles

CCCCCCCCCCCCCCOC (=O) C1=CC (=C (C (=C1) O) O) O

Molecular Formula

C21H34O5

Molecular Weight

366.49 g/mol

Controlled

Chemical Information

Myristyl gallate

CAS Number	18244-73-0
PubChem CID	87524
IUPAC Name	tetradecyl 3,4,5-trihydroxybenzoate
Molecular Formula	C21H34O5
Molecular Weight	366.5
XLogP	6.9
Topological Polar Surface Area	87
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	15
Heavy Atom Count	26
Formal Charge	0
Complexity	348

SMILES

CCCCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O

InChI

InChI=1S/C21H34O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-26-21(25)17-15-18(22)20(24)19(23)16-17/h15-16,22-24H,2-14H2,1H3

InChIKey

BQWQGCZOPQEUIQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18244-73-0

CID: 87524

Formula: C21H34O5

MW: 366.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	366.5
XLogP3	6.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	15
Exact Mass	366.24062418
Monoisotopic Mass	366.24062418
Topological Polar Surface Area	87 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	348
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
FM179749-01	Myristyl methacrylate
FM44974-01	Myristyl nicotinate
KIA75715	Myristyl linolenate
DAA23485-01	Myristyl myristate
FM157352-01	Myristyl dimethylamine oxide
FH70971-01	Hexyl gallate
FG166941-01	(+) -Gallocatechin gallate
FO33334-01	Octyl gallate
FN70716-01	Nonyl gallate
FE09970-01	Epigallocatechin gallate