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2- (Cyclopentylmethyl) pentanoic acid

CAT: 0926-ZZB74620-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-ZZB74620-01Size:100 mg
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CAS Number
1249746-20-0
MDL Number
MFCD14694966
Smiles
CCCC (CC1CCCC1) C (=O) O
Molecular Formula
C11H20O2
Molecular Weight
184.27 g/mol
Controlled
No

Chemical Information

2-(Cyclopentylmethyl)pentanoic acid
CAS Number1249746-20-0
PubChem CID54593210
IUPAC Name2-(cyclopentylmethyl)pentanoic acid
Molecular FormulaC11H20O2
Molecular Weight184.27
XLogP3.7
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count13
Formal Charge0
Complexity159
SMILES
CCCC(CC1CCCC1)C(=O)O
InChI
InChI=1S/C11H20O2/c1-2-5-10(11(12)13)8-9-6-3-4-7-9/h9-10H,2-8H2,1H3,(H,12,13)
InChIKey
LNJSYAKSDAYQAX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Cyclopentylmethyl)pentanoic acid
CAS: 1249746-20-0
CID: 54593210
Formula: C11H20O2
MW: 184.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.27
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass184.146329876
Monoisotopic Mass184.146329876
Topological Polar Surface Area37.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity159
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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