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3-Cyclohexylbutanoic Acid

CAT: 0572-TRC-C993708-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C993708-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4361-38-0
Hazard Statement
No Data Available
Smiles
CC(CC(=O)O)C1CCCCC1
Molecular Formula
C10H18O2
Molecular Weight
170.25
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3-Cyclohexylbutanoic acid
CAS Number4361-38-0
PubChem CID2753328
IUPAC Name3-cyclohexylbutanoic acid
Molecular FormulaC10H18O2
Molecular Weight170.25
XLogP3.3
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity148
SMILES
CC(CC(=O)O)C1CCCCC1
InChI
InChI=1S/C10H18O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,11,12)
InChIKey
CDPQZLVBRUMMRQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Cyclohexylbutanoic acid
CAS: 4361-38-0
CID: 2753328
Formula: C10H18O2
MW: 170.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.25
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass170.130679813
Monoisotopic Mass170.130679813
Topological Polar Surface Area37.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity148
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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