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2,2-diethylpent-4-enoic acid

CAT: 1299-RG-B212056-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-B212056-01Size:10 mg
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CAS Number
67020-02-4
Synonyms
2,2-diethylpent-4-enoic acid
Molecular Formula
C9H16O2
Molecular Weight
156.23
Product Name Synonym
2,2-diethylpent-4-enoic acid

Chemical Information

2,2-Diethylpent-4-enoic acid
CAS Number67020-02-4
PubChem CID71374933
IUPAC Name2,2-diethylpent-4-enoic acid
Molecular FormulaC9H16O2
Molecular Weight156.22
XLogP2.5
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count11
Formal Charge0
Complexity146
SMILES
CCC(CC)(CC=C)C(=O)O
InChI
InChI=1S/C9H16O2/c1-4-7-9(5-2,6-3)8(10)11/h4H,1,5-7H2,2-3H3,(H,10,11)
InChIKey
ANDKLBOQBQMTJG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2-Diethylpent-4-enoic acid
CAS: 67020-02-4
CID: 71374933
Formula: C9H16O2
MW: 156.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.22
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass156.115029749
Monoisotopic Mass156.115029749
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity146
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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