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Trans-4-Isopropylcyclohexanecarboxylic acid (Standard)

CAT: 0804-HY-W042292RSize: 1 EachDry Ice: NoHazardous: No
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Description
Trans-4-Isopropylcyclohexanecarboxylic acid (Standard) is the analytical standard of trans-4-Isopropylcyclohexanecarboxylic acid. This product is intended for research and analytical applications.
CAS Number
7077-05-6
UNSPSC
12352211
Target
Reference Standards
Related Pathways
Others
Smiles
O=C([C@H]1CC[C@H](C(C)C)CC1)O
Molecular Formula
C10H18O2
Molecular Weight
170.25
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

4-Isopropylcyclohexanecarboxylic Acid
CAS Number7077-05-6
PubChem CID81526
IUPAC Name4-propan-2-ylcyclohexane-1-carboxylic acid
Molecular FormulaC10H18O2
Molecular Weight170.25
XLogP2.9
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity155
SMILES
CC(C)C1CCC(CC1)C(=O)O
InChI
InChI=1S/C10H18O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)
InChIKey
YRQKWRUZZCBSIG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Isopropylcyclohexanecarboxylic Acid
CAS: 7077-05-6
CID: 81526
Formula: C10H18O2
MW: 170.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.25
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass170.130679813
Monoisotopic Mass170.130679813
Topological Polar Surface Area37.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity155
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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