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2-Cyclohexyl-2-methylpropanoic acid

CAT: 0926-RAA38697-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-RAA38697-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16386-97-3
MDL Number
MFCD19301319
Smiles
CC (C) (C1CCCCC1) C (=O) O
Molecular Formula
C10H18O2
Molecular Weight
170.25 g/mol
Controlled
No

Chemical Information

Cyclohexaneacetic acid, alpha,alpha-dimethyl-
CAS Number16386-97-3
PubChem CID177742
IUPAC Name2-cyclohexyl-2-methylpropanoic acid
Molecular FormulaC10H18O2
Molecular Weight170.25
XLogP3.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity167
SMILES
CC(C)(C1CCCCC1)C(=O)O
InChI
InChI=1S/C10H18O2/c1-10(2,9(11)12)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,11,12)
InChIKey
LQTWWEVXGRFIDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclohexaneacetic acid, alpha,alpha-dimethyl-
CAS: 16386-97-3
CID: 177742
Formula: C10H18O2
MW: 170.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.25
XLogP33.4
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
Complexity167
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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