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Cyclobutyl-acetic acid

CAT: 0572-TRC-C989393-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C989393-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6540-33-6
Hazard Statement
No Data Available
Smiles
OC(=O)CC1CCC1
Molecular Formula
C6H10O2
Molecular Weight
114.14
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Cyclobutylacetic Acid
CAS Number6540-33-6
PubChem CID1516411
IUPAC Name2-cyclobutylacetic acid
Molecular FormulaC6H10O2
Molecular Weight114.14
XLogP1.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity94
SMILES
C1CC(C1)CC(=O)O
InChI
InChI=1S/C6H10O2/c7-6(8)4-5-2-1-3-5/h5H,1-4H2,(H,7,8)
InChIKey
FQRMJJJRCOMBKG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Cyclobutylacetic Acid
CAS: 6540-33-6
CID: 1516411
Formula: C6H10O2
MW: 114.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight114.14
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass114.068079557
Monoisotopic Mass114.068079557
Topological Polar Surface Area37.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity94.7
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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