2-Oxopropanoic anhydride

CAT: 0127-OR1004177Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

150670-96-5

MDL Number

MFCD24693349

Purity

85%

Smiles

CC(=O)C(=O)OC(=O)C(C)=O

Chemical Information

Acetoformic anhydride

CAS Number	150670-96-5
PubChem CID	52937935
IUPAC Name	2-oxopropanoyl 2-oxopropanoate
Molecular Formula	C6H6O5
Molecular Weight	158.11
XLogP	-0.3
Topological Polar Surface Area	77.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	11
Formal Charge	0
Complexity	203

SMILES

CC(=O)C(=O)OC(=O)C(=O)C

InChI

InChI=1S/C6H6O5/c1-3(7)5(9)11-6(10)4(2)8/h1-2H3

InChIKey

GAPVBMQBWAUBHC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 150670-96-5

CID: 52937935

Formula: C6H6O5

MW: 158.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	158.11
XLogP3	-0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	158.02152329
Monoisotopic Mass	158.02152329
Topological Polar Surface Area	77.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	203
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
OR1048022-01	3-Cyclohexyl-2-oxopropanoic acid
OR8799-01	3-Bromo-2-oxopropanoic acid
OR1035382-01	3- (2-Methoxyphenyl) -2-oxopropanoic acid
OR1038038-01	3- (4-Nitrophenyl) -2-oxopropanoic acid
OR1102382-01	3- (3-Hydroxyphenyl) -2-oxopropanoic acid
PC110804-01	3- (4-Fluorophenyl) -2-oxopropanoic acid
OR1035160-01	3- (3-Methoxyphenyl) -2-oxopropanoic acid
OR1035095-01	3- (4-Methoxyphenyl) -2-oxopropanoic acid
OR98214	3-[2- (benzyloxy) phenyl]-2-oxopropanoic acid
OR1001960	3- (4-Bromophenyl) -2-oxopropanoic acid

Catalog	Name
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
TRC-S689188-10G	2-Sulfobenzoic Anhydride
TRC-B292005-1G	2-Benzylsuccinic Anhydride
RG-E141214-01	2-aminoacetic anhydride