Products for Research Use Only

3-Hydroxycyclohexane-1-carboxylic acid

CAT: 0572-TRC-H950113-100MGSize: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-H950113-100MGSize:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
606488-94-2
Hazard Statement
No Data Available
Smiles
OC1CCCC(C1)C(=O)O
Molecular Formula
C7 H12 O3
Molecular Weight
144.168
InChI
InChI=1S/C7H12O3/c8-6-3-1-2-5(4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)
Additionnal Information
IUPAC name: 3-hydroxycyclohexane-1-carboxylic acid
Shipping Conditions
Room Temperature

Chemical Information

3-Hydroxycyclohexanecarboxylic Acid
CAS Number606488-94-2
PubChem CID5255726
IUPAC Name3-hydroxycyclohexane-1-carboxylic acid
Molecular FormulaC7H12O3
Molecular Weight144.17
XLogP0.3
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity133
SMILES
C1CC(CC(C1)O)C(=O)O
InChI
InChI=1S/C7H12O3/c8-6-3-1-2-5(4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)
InChIKey
JBZDHFKPEDWWJC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxycyclohexanecarboxylic Acid
CAS: 606488-94-2
CID: 5255726
Formula: C7H12O3
MW: 144.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight144.17
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass144.078644241
Monoisotopic Mass144.078644241
Topological Polar Surface Area57.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity133
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes