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Propyl 3-hydroxypentanoate

CAT: 0127-OR1082373-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1082373-01Size:250 mg
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CAS Number
133098-11-0
MDL Number
MFCD34874512
Purity
97%
Smiles
C (C (=O) OCCC) C (CC) O

Chemical Information

Propyl 3-hydroxypentanoate
CAS Number133098-11-0
PubChem CID14915818
IUPAC Namepropyl 3-hydroxypentanoate
Molecular FormulaC8H16O3
Molecular Weight160.21
XLogP1.2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count11
Formal Charge0
Complexity112
SMILES
CCCOC(=O)CC(CC)O
InChI
InChI=1S/C8H16O3/c1-3-5-11-8(10)6-7(9)4-2/h7,9H,3-6H2,1-2H3
InChIKey
ODBWDSATYIYAOX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propyl 3-hydroxypentanoate
CAS: 133098-11-0
CID: 14915818
Formula: C8H16O3
MW: 160.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight160.21
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass160.109944368
Monoisotopic Mass160.109944368
Topological Polar Surface Area46.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity112
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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