2-Acetoxybenzoic anhydride

CAT: 0127-OR74431-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR74431-01Size:250 mg

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CAS Number

1466-82-6

MDL Number

MFCD00013236

Purity

98%

Smiles

O=C(OC(C1=CC=CC=C1OC(C)=O)=O)C2=CC=CC=C2OC(C)=O

Chemical Information

Acetylsalicylic anhydride

impurity in aspirin; structure given in first source

CAS Number	1466-82-6
PubChem CID	15110
IUPAC Name	(2-acetyloxybenzoyl) 2-acetyloxybenzoate
Molecular Formula	C18H14O7
Molecular Weight	342.3
XLogP	2.5
Topological Polar Surface Area	96
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	25
Formal Charge	0
Complexity	482

SMILES

CC(=O)OC1=CC=CC=C1C(=O)OC(=O)C2=CC=CC=C2OC(=O)C

InChI

InChI=1S/C18H14O7/c1-11(19)23-15-9-5-3-7-13(15)17(21)25-18(22)14-8-4-6-10-16(14)24-12(2)20/h3-10H,1-2H3

InChIKey

OAWXYINGQXLWOE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1466-82-6

CID: 15110

Formula: C18H14O7

MW: 342.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	342.3
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	342.07395278
Monoisotopic Mass	342.07395278
Topological Polar Surface Area	96 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	482
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
BUP16980-01	4-Acetoxybenzoic acid
OR938631-01	3-Acetoxybenzoic acid
OR7979-01	4-Acetoxybenzoic acid
OR1058842-01	2-Naphthoic anhydride
OR1004177	2-Oxopropanoic anhydride
OR1057351-01	2-Ethylbutanoic anhydride
OR1027723-01	2-Methylbenzoic Anhydride
OR80291-01	2-Phenoxyacetic anhydride
OR1028274-01	2-Methoxyacetic Anhydride
OR1009942-01	2,2-Dimethylglutaric Anhydride

Catalog	Name
AR-A02684-01	Acetic 2-acetoxybenzoic anhydride
AR-A02678-01	2-Acetoxybenzoic 2-Hydroxybenzoic Anhydride
414829-01	2-acetoxybenzoic 2-hydroxybenzoic Anhydride discontinued
15025222-25g	2,3-Pyridinedicarboxylic anhydride (Quinolinic anhydride)
283324-01	2-Methylbutanoic anhydride
sc-488199	2-Octenylsuccinic Anhydride
AR-T05533-01	2-Methylbenzoic Anhydride
FE172314-01	2-Ethylhexanoic anhydride
CAA95996	2-Phenylglutaric anhydride
RG-E140814-01	2-fluorobenzoic anhydride