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2-Cyclobutyl-2-hydroxyacetic acid

CAT: 0926-PCC97979-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-PCC97979-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1314979-79-7
MDL Number
MFCD19229710
Smiles
C1CC (C1) C (C (=O) O) O
Molecular Formula
C6H10O3
Molecular Weight
130.14 g/mol
Controlled
No

Chemical Information

2-Cyclobutyl-2-hydroxyacetic acid
CAS Number1314979-79-7
PubChem CID55299793
IUPAC Name2-cyclobutyl-2-hydroxyacetic acid
Molecular FormulaC6H10O3
Molecular Weight130.14
XLogP0.5
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity117
SMILES
C1CC(C1)C(C(=O)O)O
InChI
InChI=1S/C6H10O3/c7-5(6(8)9)4-2-1-3-4/h4-5,7H,1-3H2,(H,8,9)
InChIKey
WDUASXFZWNGNDP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Cyclobutyl-2-hydroxyacetic acid
CAS: 1314979-79-7
CID: 55299793
Formula: C6H10O3
MW: 130.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight130.14
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass130.062994177
Monoisotopic Mass130.062994177
Topological Polar Surface Area57.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity117
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