2,3-Diacetoxybenzoic Acid

CAT: 0127-OR1025981-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1025981-01Size:50 mg

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CAS Number

486-79-3

Synonyms

2,3-diacetyloxybenzoic acid

Purity

97%

Smiles

CC(=O)OC1=CC=CC(=C1OC(=O)C)C(=O)O

Chemical Information

Tosiben

2,3-diacetyloxybenzoic acid is a member of benzoic acids, a member of salicylates and a carboxylic ester.

CAS Number	486-79-3
PubChem CID	68093
IUPAC Name	2,3-diacetyloxybenzoic acid
Molecular Formula	C11H10O6
Molecular Weight	238.19
XLogP	0.9
Topological Polar Surface Area	89.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	17
Formal Charge	0
Complexity	324

SMILES

CC(=O)OC1=CC=CC(=C1OC(=O)C)C(=O)O

InChI

InChI=1S/C11H10O6/c1-6(12)16-9-5-3-4-8(11(14)15)10(9)17-7(2)13/h3-5H,1-2H3,(H,14,15)

InChIKey

NYIZXMGNIUSNKL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 486-79-3

CID: 68093

Formula: C11H10O6

MW: 238.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	238.19
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	238.04773803
Monoisotopic Mass	238.04773803
Topological Polar Surface Area	89.9 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	324
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
OR1068690-01	3,4-Diacetoxybenzoic acid
OR11278-01	3,5-Diacetoxybenzoic acid
OR23621-01	2,3,3-Trichloroacrylic acid
OR24805	2,3,3-Trimethylbutanoic acid
OR1009986-01	2,3-Dihydroxypropanoic Acid
PC2654-01	2,3-Difluorobenzoic acid
OR921930-01	2,3-Norbornanedicarboxylic acid
PC49549-01	2,3-Difluoroisonicotinic acid
OR0057-01	2,3-Dihydroxybenzoic acid
OR7196-01	2,3-Dichlorobenzeneboronic acid

Catalog	Name
FD67699-01	3,4-Diacetoxybenzoic acid
FD61767-01	3,5-Diacetoxybenzoic acid
sc-225566	2,2,3,3-Tetramethylcyclopropanecarboxylic acid
sc-343340A	2,2,3,3-tetrafluorocyclobutanecarboxylic acid
sc-260165	2,2,3,3-Tetrafluoropropionic acid
FBA40741-01	2,2,3,3-Tetramethylbutanoic acid
419408-01	2, 2, 3, 3, 3-Pentafluoropropanoic Acid
TRC-P227235-1G	2,2,3,3,3-Pentafluoropropanoic Acid
P9494-90N	2,3-Pyridinedicarboxylic Acid (Quinolinic Acid, Pyridine-2,3-dicarboxylic Acid, Pyridin-2,3-dicarbonsaeure)
ZBA71452-01	2,2,3-Trimethylbutanoic acid