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(2E)-2-Nonenedioic Acid

CAT: 0572-TRC-N768570-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N768570-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
757219-33-3
Synonyms
trans-2-Nonenedioic Acid; 2-Nonenedioic Acid.
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
OC(CCCCC/C=C/C(O)=O)=O
Molecular Formula
C9H14O4
Molecular Weight
186.21
InChI
InChI=1S/C9H14O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h4,6H,1-3,5,7H2,(H,10,11)(H,12,13)/b6-4+
Additionnal Information
IUPAC name: (E)-non-2-enedioic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(2E)-2-Nonenedioic Acid
CAS Number757219-33-3
PubChem CID23212328
IUPAC Name(E)-non-2-enedioic acid
Molecular FormulaC9H14O4
Molecular Weight186.20
XLogP1.4
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count13
Formal Charge0
Complexity196
SMILES
C(CC/C=C/C(=O)O)CCC(=O)O
InChI
InChI=1S/C9H14O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h4,6H,1-3,5,7H2,(H,10,11)(H,12,13)/b6-4+
InChIKey
YIXPUAYMZURQJH-GQCTYLIASA-N
Chemical Structure
2D Structure
2D structure of (2E)-2-Nonenedioic Acid
CAS: 757219-33-3
CID: 23212328
Formula: C9H14O4
MW: 186.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.20
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass186.08920892
Monoisotopic Mass186.08920892
Topological Polar Surface Area74.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity196
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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