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(E)-3-Cyclopentylprop-2-enoic Acid

CAT: 0572-TRC-E326005-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-E326005-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
117929-79-0
Synonyms
(2E)-3-Cyclopentyl-2-propenoic acid
Hazard Statement
No Data Available
Smiles
OC(/C=C/C1CCCC1)=O
Molecular Formula
C8H12O2
Molecular Weight
140.18
InChI
InChI=1S/C8H12O2/c9-8(10)6-5-7-3-1-2-4-7/h5-7H,1-4H2,(H,9,10)/b6-5+
Additionnal Information
IUPAC name: (E)-3-cyclopentylacrylic acid

Chemical Information

3-Cyclopentylprop-2-enoic acid
CAS Number117929-79-0
PubChem CID53401851
IUPAC Name3-cyclopentylprop-2-enoic acid
Molecular FormulaC8H12O2
Molecular Weight140.18
XLogP2.2
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity143
SMILES
C1CCC(C1)C=CC(=O)O
InChI
InChI=1S/C8H12O2/c9-8(10)6-5-7-3-1-2-4-7/h5-7H,1-4H2,(H,9,10)
InChIKey
MPRHIJJKVGFXRS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Cyclopentylprop-2-enoic acid
CAS: 117929-79-0
CID: 53401851
Formula: C8H12O2
MW: 140.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight140.18
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass140.083729621
Monoisotopic Mass140.083729621
Topological Polar Surface Area37.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity143
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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