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2-Methyleneglutaric acid

CAT: 0127-OR908110-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR908110-01Size:250 mg
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CAS Number
3621-79-2
MDL Number
MFCD06208028
Purity
96%
Smiles
OC(=O)CCC(=C)C(=O)O
Storage Conditions
Store at -20°C

Chemical Information

2-Methyleneglutaric acid

2-methylideneglutaric acid is a dicarboxylic acid comprising a glutaric acid core with a methylene group at the 2-position. It is a dicarboxylic fatty acid and a dicarboxylic acid. It is functionally related to a glutaric acid. It is a conjugate acid of a 2-methylideneglutarate(2-).

CAS Number3621-79-2
PubChem CID95155
IUPAC Name2-methylidenepentanedioic acid
Molecular FormulaC6H8O4
Molecular Weight144.12
XLogP0.1
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count10
Formal Charge0
Complexity171
SMILES
C=C(CCC(=O)O)C(=O)O
InChI
InChI=1S/C6H8O4/c1-4(6(9)10)2-3-5(7)8/h1-3H2,(H,7,8)(H,9,10)
InChIKey
CWNNYYIZGGDCHS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methyleneglutaric acid
CAS: 3621-79-2
CID: 95155
Formula: C6H8O4
MW: 144.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight144.12
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass144.04225873
Monoisotopic Mass144.04225873
Topological Polar Surface Area74.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity171
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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