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Ethyl Valproate

CAT: 1596-AR-V01102-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-V01102-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17022-31-0
Synonyms
Ethyl 2-propylpentanoate; Valproic Acid Ethyl Ester; 2-Propyl-pentanoic Acid Ethyl Ester; 2-Propyl-valeric Acid Ethyl Ester; 2-Propylvaleric Acid Ethyl Ester; Ethyl 2,2-Dipropylacetate; Ethyl 2-Propylpentanoate; Ethyl Dipropylacetate; Ethyl Valproate
Molecular Formula
C10H20O2
Molecular Weight
172.27
API Name
Valproic Acid

Chemical Information

Valproic acid ethyl ester
CAS Number17022-31-0
PubChem CID83946
IUPAC Nameethyl 2-propylpentanoate
Molecular FormulaC10H20O2
Molecular Weight172.26
XLogP3.3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count12
Formal Charge0
Complexity115
SMILES
CCCC(CCC)C(=O)OCC
InChI
InChI=1S/C10H20O2/c1-4-7-9(8-5-2)10(11)12-6-3/h9H,4-8H2,1-3H3
InChIKey
WIKWUBHEBLFWHH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Valproic acid ethyl ester
CAS: 17022-31-0
CID: 83946
Formula: C10H20O2
MW: 172.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.26
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass172.146329876
Monoisotopic Mass172.146329876
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity115
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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