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(E) -Hex-2-enedioic acid

CAT: 0127-OR1102039-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1102039-01Size:100 mg
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CAS Number
2583-24-6
Purity
95%
Smiles
O=C (O) /C=C/CCC (O) =O

Chemical Information

(E)-hex-2-enedioic acid

2-hexenedioic acid is a hexenedioic acid where the C=C double bond is located at the 2-position. It is a conjugate acid of a hex-2-enedioate.

CAS Number2583-24-6
PubChem CID10877230
IUPAC Name(E)-hex-2-enedioic acid
Molecular FormulaC6H8O4
Molecular Weight144.12
XLogP0
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count10
Formal Charge0
Complexity159
SMILES
C(CC(=O)O)/C=C/C(=O)O
InChI
InChI=1S/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1,3H,2,4H2,(H,7,8)(H,9,10)/b3-1+
InChIKey
HSBSUGYTMJWPAX-HNQUOIGGSA-N
Chemical Structure
2D Structure
2D structure of (E)-hex-2-enedioic acid
CAS: 2583-24-6
CID: 10877230
Formula: C6H8O4
MW: 144.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight144.12
XLogP30
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
Complexity159
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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