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Valproic Acid Methyl Ester

CAT: 1596-AR-V01091-01Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-V01091-01Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
22632-59-3
Synonyms
Methyl 2-propylpentanoate; 2-Propyl-pentanoic Acid Methyl Ester; 2-Propyl-valeric Acid Methyl Ester; 2-Propylvaleric Acid Methyl Ester; Methyl 2,2-Dipropylacetate; Methyl 2-Propylpentanoate; Methyl Dipropylacetate; Methyl Valproate
Molecular Formula
C9H18O2
Molecular Weight
158.24
API Name
Valproic Acid

Chemical Information

Pentanoic acid, 2-propyl-, methyl ester
CAS Number22632-59-3
PubChem CID519972
IUPAC Namemethyl 2-propylpentanoate
Molecular FormulaC9H18O2
Molecular Weight158.24
XLogP3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count11
Formal Charge0
Complexity104
SMILES
CCCC(CCC)C(=O)OC
InChI
InChI=1S/C9H18O2/c1-4-6-8(7-5-2)9(10)11-3/h8H,4-7H2,1-3H3
InChIKey
WPRYUWYMOZQHIY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pentanoic acid, 2-propyl-, methyl ester
CAS: 22632-59-3
CID: 519972
Formula: C9H18O2
MW: 158.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight158.24
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass158.130679813
Monoisotopic Mass158.130679813
Topological Polar Surface Area26.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity104
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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