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2-Propylglutaric Acid

CAT: 0024-sc-206485BSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-206485BSize:10 mg
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CAS Number
32806-62-5

Chemical Information

2-Propylglutaric acid

2-Propylglutaric acid is a dicarboxylic acid.

CAS Number32806-62-5
PubChem CID134970
IUPAC Name2-propylpentanedioic acid
Molecular FormulaC8H14O4
Molecular Weight174.19
XLogP1
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count12
Formal Charge0
Complexity164
SMILES
CCCC(CCC(=O)O)C(=O)O
InChI
InChI=1S/C8H14O4/c1-2-3-6(8(11)12)4-5-7(9)10/h6H,2-5H2,1H3,(H,9,10)(H,11,12)
InChIKey
IFNXFIJXYVEYLF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Propylglutaric acid
CAS: 32806-62-5
CID: 134970
Formula: C8H14O4
MW: 174.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight174.19
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass174.08920892
Monoisotopic Mass174.08920892
Topological Polar Surface Area74.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity164
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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