Citraconic acid anhydride

CAT: 0931-TN6957Size: 10 gDry Ice: NoHazardous: No

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CAT#:0931-TN6957Size:10 g

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CAS Number

616-02-4

Target

Others

Related Pathways

Others

Purity

0.9989

Bioactivity

Citraconic acid anhydride (3-methyl-2,5-dihydrofuran-2,5-dione) is a cyclic acid anhydride compound used as an important dienophile or acylating agent in organic synthesis.

Smiles

O=C1OC(=O)C(=C1)C

Molecular Formula

C5H4O3

Molecular Weight

112.08

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Citraconic Anhydrides

Methylmaleic anhydrides.

CAS Number	616-02-4
PubChem CID	12012
IUPAC Name	3-methylfuran-2,5-dione
Molecular Formula	C5H4O3
Molecular Weight	112.08
XLogP	0.2
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	178

SMILES

CC1=CC(=O)OC1=O

InChI

InChI=1S/C5H4O3/c1-3-2-4(6)8-5(3)7/h2H,1H3

InChIKey

AYKYXWQEBUNJCN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 616-02-4

CID: 12012

Formula: C5H4O3

MW: 112.08

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	112.08
XLogP3	0.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	112.016043985
Monoisotopic Mass	112.016043985
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	178
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

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T20442-01	Nicotinic anhydride
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TCL-00024-01	Lauric anhydride
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Alternative Products

Catalog	Name
MBS5788922	Citraconic acid anhydride
OR5508-01	Citraconic anhydride
236916-01	Citraconic anhydride 98+%
C23060-01	Citraconic anhydride 98%
C6726-1000	Citraconic acid

Citraconic acid anhydride

Chemical Information

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