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3-Cyclopropyl-2-hydroxypropanoic acid

CAT: 0127-OR1058565-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1058565-01Size:100 mg
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CAS Number
1599840-16-0
MDL Number
MFCD24499464
Purity
97%
Smiles
O=C(O)C(O)CC1CC1

Chemical Information

3-Cyclopropyl-2-hydroxypropanoic acid
CAS Number1599840-16-0
PubChem CID18374692
IUPAC Name3-cyclopropyl-2-hydroxypropanoic acid
Molecular FormulaC6H10O3
Molecular Weight130.14
XLogP0.6
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity117
SMILES
C1CC1CC(C(=O)O)O
InChI
InChI=1S/C6H10O3/c7-5(6(8)9)3-4-1-2-4/h4-5,7H,1-3H2,(H,8,9)
InChIKey
URABTPLPEKSFHH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Cyclopropyl-2-hydroxypropanoic acid
CAS: 1599840-16-0
CID: 18374692
Formula: C6H10O3
MW: 130.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight130.14
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
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

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