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2-Cyclopropyl-2-hydroxyacetic acid

CAT: 0127-OR1033923-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1033923-01Size:100 mg
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CAS Number
5617-84-5
Purity
95%
Smiles
O=C(O)C(C1CC1)O

Chemical Information

alpha-Hydroxycyclopropaneacetic acid
CAS Number5617-84-5
PubChem CID13030266
IUPAC Name2-cyclopropyl-2-hydroxyacetic acid
Molecular FormulaC5H8O3
Molecular Weight116.11
XLogP-0.1
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity106
SMILES
C1CC1C(C(=O)O)O
InChI
InChI=1S/C5H8O3/c6-4(5(7)8)3-1-2-3/h3-4,6H,1-2H2,(H,7,8)
InChIKey
WGYFYSOUPAKFHY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of alpha-Hydroxycyclopropaneacetic acid
CAS: 5617-84-5
CID: 13030266
Formula: C5H8O3
MW: 116.11
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight116.11
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass116.047344113
Monoisotopic Mass116.047344113
Topological Polar Surface Area57.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity106
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